 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_150_STD_wB97XD-def2SVPDr.in
 Output=23_tartaric_acid_150_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/23_tartaric_acid_150_STD/Gau-42560.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/23_tartaric_acid_150_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     42561.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=23_tartaric_acid_150_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 18:08:19 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_150_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.596150000000     -0.609276000000     -0.011079000000
  O                                                 1.257326000000     -1.762731000000      0.145721000000
  O                                                 2.831361000000     -0.202064000000      0.214747000000
  C                                                 0.617545000000      0.467428000000     -0.461680000000
  C                                                -0.633255000000      0.485066000000      0.462956000000
  C                                                -1.719874000000     -0.496691000000     -0.007213000000
  O                                                -2.823722000000     -0.072777000000     -0.249294000000
  O                                                 1.278067000000      1.713093000000     -0.432141000000
  O                                                -1.162976000000      1.785444000000      0.460059000000
  O                                                -1.391913000000     -1.767297000000     -0.127310000000
  H                                                 0.312245000000      0.226360000000     -1.487600000000
  H                                                -0.333287000000      0.217346000000      1.482353000000
  H                                                -0.419035000000     -1.910789000000      0.023248000000
  H                                                 2.849430000000      0.766125000000      0.077766000000
  H                                                 0.603319000000      2.381880000000     -0.229208000000
  H                                                -2.081215000000      1.690573000000      0.141279000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Jul 23 18:08:20 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.596150   -0.609276   -0.011079
      2          8           0        1.257326   -1.762731    0.145721
      3          8           0        2.831361   -0.202064    0.214747
      4          6           0        0.617545    0.467428   -0.461680
      5          6           0       -0.633255    0.485066    0.462956
      6          6           0       -1.719874   -0.496691   -0.007213
      7          8           0       -2.823722   -0.072777   -0.249294
      8          8           0        1.278067    1.713093   -0.432141
      9          8           0       -1.162976    1.785444    0.460059
     10          8           0       -1.391913   -1.767297   -0.127310
     11          1           0        0.312245    0.226360   -1.487600
     12          1           0       -0.333287    0.217346    1.482353
     13          1           0       -0.419035   -1.910789    0.023248
     14          1           0        2.849430    0.766125    0.077766
     15          1           0        0.603319    2.381880   -0.229208
     16          1           0       -2.081215    1.690573    0.141279
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.212372   0.000000
     3  O    1.320063   2.217664   0.000000
     4  C    1.523155   2.398305   2.409721   0.000000
     5  C    2.528347   2.954239   3.540808   1.555559   0.000000
     6  C    3.317937   3.238822   4.566159   2.568967   1.538066
     7  O    4.458682   4.434742   5.675563   3.489878   2.369944
     8  O    2.381568   3.523593   2.549316   1.410264   2.441803
     9  O    3.683671   4.306532   4.468232   2.399380   1.404135
    10  O    3.206718   2.663275   4.516968   3.023859   2.448901
    11  H    2.127631   2.741787   3.070420   1.097194   2.183018
    12  H    2.576115   2.870077   3.434782   2.178506   1.095822
    13  H    2.399184   1.687337   3.677157   2.639237   2.445272
    14  H    1.862883   2.989068   0.977998   2.315498   3.515176
    15  H    3.159163   4.212612   3.440644   1.928567   2.367722
    16  H    4.339992   4.803247   5.265062   3.023731   1.911364
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.206974   0.000000
     8  O    3.748514   4.477437   0.000000
     9  O    2.395124   2.591186   2.599990   0.000000
    10  O    1.317733   2.221791   4.397139   3.608238   0.000000
    11  H    2.616076   3.384845   2.063294   2.898344   2.954524
    12  H    2.156682   3.047136   2.915306   2.047535   2.765956
    13  H    1.921662   3.038929   4.027413   3.795575   0.994861
    14  H    4.741357   5.744160   1.904189   4.157471   4.944621
    15  H    3.705763   4.215490   0.971464   1.987617   4.605106
    16  H    2.221878   1.952759   3.407946   0.976619   3.536120
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.039311   0.000000
    13  H    2.717506   2.581724   0.000000
    14  H    3.029691   3.521890   4.225128   0.000000
    15  H    2.512875   2.914083   4.419949   2.783866   0.000000
    16  H    3.244352   2.650307   3.968196   5.016961   2.796764
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.81D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.596150   -0.609276   -0.011079
      2          8           0        1.257327   -1.762731    0.145721
      3          8           0        2.831361   -0.202063    0.214747
      4          6           0        0.617545    0.467428   -0.461680
      5          6           0       -0.633255    0.485066    0.462956
      6          6           0       -1.719874   -0.496691   -0.007213
      7          8           0       -2.823722   -0.072778   -0.249294
      8          8           0        1.278067    1.713093   -0.432141
      9          8           0       -1.162976    1.785444    0.460059
     10          8           0       -1.391912   -1.767297   -0.127310
     11          1           0        0.312245    0.226360   -1.487600
     12          1           0       -0.333287    0.217346    1.482353
     13          1           0       -0.419034   -1.910789    0.023248
     14          1           0        2.849430    0.766126    0.077766
     15          1           0        0.603318    2.381880   -0.229208
     16          1           0       -2.081215    1.690572    0.141279
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.0846324           1.0823921           0.7513491
 Leave Link  202 at Fri Jul 23 18:08:20 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   266 symmetry adapted basis functions of A   symmetry.
   266 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       582.5656445576 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0081712776 Hartrees.
 Nuclear repulsion after empirical dispersion term =      582.5574732800 Hartrees.
 Leave Link  301 at Fri Jul 23 18:08:21 2021, MaxMem= 10737418240 cpu:              14.1 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   266 RedAO= T EigKep=  3.56D-05  NBF=   266
 NBsUse=   266 1.00D-06 EigRej= -1.00D+00 NBFU=   266
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Fri Jul 23 18:08:22 2021, MaxMem= 10737418240 cpu:               5.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 18:08:23 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_150_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 18:08:23 2021, MaxMem= 10737418240 cpu:               5.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737247312 LenY= 10737165075
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -606.811342082715    
 DIIS: error= 4.00D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -606.811342082715     IErMin= 1 ErrMin= 4.00D-03
 ErrMax= 4.00D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-02 BMatP= 2.04D-02
 IDIUse=3 WtCom= 9.60D-01 WtEn= 4.00D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.426 Goal=   None    Shift=    0.000
 GapD=    0.426 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.10D-03 MaxDP=1.11D-01              OVMax= 1.54D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.10D-03    CP:  9.94D-01
 E= -606.826967130536     Delta-E=       -0.015625047821 Rises=F Damp=F
 DIIS: error= 9.26D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -606.826967130536     IErMin= 2 ErrMin= 9.26D-04
 ErrMax= 9.26D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.52D-04 BMatP= 2.04D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.26D-03
 Coeff-Com:  0.284D-01 0.972D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.281D-01 0.972D+00
 Gap=     0.426 Goal=   None    Shift=    0.000
 RMSDP=6.55D-04 MaxDP=2.43D-02 DE=-1.56D-02 OVMax= 6.75D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.57D-04    CP:  9.90D-01  1.11D+00
 E= -606.827540342645     Delta-E=       -0.000573212110 Rises=F Damp=F
 DIIS: error= 7.22D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -606.827540342645     IErMin= 3 ErrMin= 7.22D-04
 ErrMax= 7.22D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.55D-04 BMatP= 9.52D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.22D-03
 Coeff-Com: -0.478D-01 0.472D+00 0.576D+00
 Coeff-En:   0.000D+00 0.193D+00 0.807D+00
 Coeff:     -0.474D-01 0.470D+00 0.578D+00
 Gap=     0.425 Goal=   None    Shift=    0.000
 RMSDP=1.55D-04 MaxDP=3.81D-03 DE=-5.73D-04 OVMax= 2.69D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.15D-04    CP:  9.90D-01  1.14D+00  1.00D+00
 E= -606.828023814183     Delta-E=       -0.000483471538 Rises=F Damp=F
 DIIS: error= 1.54D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -606.828023814183     IErMin= 4 ErrMin= 1.54D-04
 ErrMax= 1.54D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-05 BMatP= 7.55D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.54D-03
 Coeff-Com: -0.198D-01 0.125D+00 0.204D+00 0.690D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.198D-01 0.125D+00 0.204D+00 0.691D+00
 Gap=     0.425 Goal=   None    Shift=    0.000
 RMSDP=6.38D-05 MaxDP=3.33D-03 DE=-4.83D-04 OVMax= 8.29D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.44D-05    CP:  9.89D-01  1.14D+00  1.08D+00  1.02D+00
 E= -606.828043427207     Delta-E=       -0.000019613024 Rises=F Damp=F
 DIIS: error= 4.90D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -606.828043427207     IErMin= 5 ErrMin= 4.90D-05
 ErrMax= 4.90D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.12D-06 BMatP= 2.20D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.178D-02-0.333D-01-0.424D-01 0.181D+00 0.893D+00
 Coeff:      0.178D-02-0.333D-01-0.424D-01 0.181D+00 0.893D+00
 Gap=     0.425 Goal=   None    Shift=    0.000
 RMSDP=2.58D-05 MaxDP=7.96D-04 DE=-1.96D-05 OVMax= 4.24D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.14D-05    CP:  9.88D-01  1.14D+00  1.12D+00  1.12D+00  1.02D+00
 E= -606.828045712592     Delta-E=       -0.000002285384 Rises=F Damp=F
 DIIS: error= 1.81D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -606.828045712592     IErMin= 6 ErrMin= 1.81D-05
 ErrMax= 1.81D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.61D-07 BMatP= 2.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.146D-02-0.199D-01-0.263D-01 0.692D-01 0.436D+00 0.540D+00
 Coeff:      0.146D-02-0.199D-01-0.263D-01 0.692D-01 0.436D+00 0.540D+00
 Gap=     0.425 Goal=   None    Shift=    0.000
 RMSDP=3.67D-06 MaxDP=1.20D-04 DE=-2.29D-06 OVMax= 1.39D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.67D-06    CP:  9.88D-01  1.14D+00  1.12D+00  1.13D+00  1.05D+00
                    CP:  1.06D+00
 E= -606.828045910457     Delta-E=       -0.000000197865 Rises=F Damp=F
 DIIS: error= 5.51D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -606.828045910457     IErMin= 7 ErrMin= 5.51D-06
 ErrMax= 5.51D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-08 BMatP= 2.61D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.148D-03 0.414D-05 0.278D-03-0.169D-01-0.445D-01 0.198D+00
 Coeff-Com:  0.863D+00
 Coeff:      0.148D-03 0.414D-05 0.278D-03-0.169D-01-0.445D-01 0.198D+00
 Coeff:      0.863D+00
 Gap=     0.425 Goal=   None    Shift=    0.000
 RMSDP=2.33D-06 MaxDP=9.08D-05 DE=-1.98D-07 OVMax= 8.18D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.06D-06    CP:  9.88D-01  1.14D+00  1.12D+00  1.13D+00  1.06D+00
                    CP:  1.19D+00  1.12D+00
 E= -606.828045942879     Delta-E=       -0.000000032422 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -606.828045942879     IErMin= 8 ErrMin= 1.20D-06
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.09D-09 BMatP= 2.44D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.765D-04 0.170D-02 0.243D-02-0.116D-01-0.499D-01 0.381D-02
 Coeff-Com:  0.266D+00 0.788D+00
 Coeff:     -0.765D-04 0.170D-02 0.243D-02-0.116D-01-0.499D-01 0.381D-02
 Coeff:      0.266D+00 0.788D+00
 Gap=     0.425 Goal=   None    Shift=    0.000
 RMSDP=5.79D-07 MaxDP=1.45D-05 DE=-3.24D-08 OVMax= 1.62D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.25D-07    CP:  9.88D-01  1.14D+00  1.12D+00  1.13D+00  1.07D+00
                    CP:  1.21D+00  1.19D+00  1.13D+00
 E= -606.828045945557     Delta-E=       -0.000000002678 Rises=F Damp=F
 DIIS: error= 4.15D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -606.828045945557     IErMin= 9 ErrMin= 4.15D-07
 ErrMax= 4.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.85D-10 BMatP= 2.09D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.490D-04 0.680D-03 0.939D-03-0.277D-02-0.139D-01-0.234D-01
 Coeff-Com:  0.851D-02 0.299D+00 0.731D+00
 Coeff:     -0.490D-04 0.680D-03 0.939D-03-0.277D-02-0.139D-01-0.234D-01
 Coeff:      0.851D-02 0.299D+00 0.731D+00
 Gap=     0.425 Goal=   None    Shift=    0.000
 RMSDP=1.92D-07 MaxDP=7.97D-06 DE=-2.68D-09 OVMax= 6.30D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.12D-07    CP:  9.88D-01  1.14D+00  1.12D+00  1.13D+00  1.07D+00
                    CP:  1.21D+00  1.21D+00  1.22D+00  1.09D+00
 E= -606.828045945900     Delta-E=       -0.000000000343 Rises=F Damp=F
 DIIS: error= 1.36D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -606.828045945900     IErMin=10 ErrMin= 1.36D-07
 ErrMax= 1.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.63D-11 BMatP= 2.85D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.750D-05 0.426D-04 0.351D-04 0.244D-03 0.772D-03-0.832D-02
 Coeff-Com: -0.227D-01 0.819D-02 0.224D+00 0.798D+00
 Coeff:     -0.750D-05 0.426D-04 0.351D-04 0.244D-03 0.772D-03-0.832D-02
 Coeff:     -0.227D-01 0.819D-02 0.224D+00 0.798D+00
 Gap=     0.425 Goal=   None    Shift=    0.000
 RMSDP=7.71D-08 MaxDP=3.06D-06 DE=-3.43D-10 OVMax= 2.41D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.44D-08    CP:  9.88D-01  1.14D+00  1.12D+00  1.13D+00  1.07D+00
                    CP:  1.21D+00  1.22D+00  1.26D+00  1.15D+00  1.13D+00
 E= -606.828045945948     Delta-E=       -0.000000000048 Rises=F Damp=F
 DIIS: error= 5.55D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -606.828045945948     IErMin=11 ErrMin= 5.55D-08
 ErrMax= 5.55D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.32D-12 BMatP= 2.63D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.439D-05-0.854D-04-0.132D-03 0.529D-03 0.250D-02 0.277D-03
 Coeff-Com: -0.895D-02-0.439D-01-0.257D-01 0.295D+00 0.780D+00
 Coeff:      0.439D-05-0.854D-04-0.132D-03 0.529D-03 0.250D-02 0.277D-03
 Coeff:     -0.895D-02-0.439D-01-0.257D-01 0.295D+00 0.780D+00
 Gap=     0.425 Goal=   None    Shift=    0.000
 RMSDP=2.72D-08 MaxDP=8.34D-07 DE=-4.80D-11 OVMax= 1.12D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.60D-08    CP:  9.88D-01  1.14D+00  1.12D+00  1.13D+00  1.07D+00
                    CP:  1.21D+00  1.22D+00  1.27D+00  1.18D+00  1.20D+00
                    CP:  1.13D+00
 E= -606.828045945949     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 1.30D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -606.828045945949     IErMin=12 ErrMin= 1.30D-08
 ErrMax= 1.30D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-13 BMatP= 4.32D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.121D-05-0.139D-04-0.191D-04 0.339D-04 0.197D-03 0.741D-03
 Coeff-Com:  0.156D-02-0.626D-02-0.252D-01-0.521D-01 0.890D-01 0.992D+00
 Coeff:      0.121D-05-0.139D-04-0.191D-04 0.339D-04 0.197D-03 0.741D-03
 Coeff:      0.156D-02-0.626D-02-0.252D-01-0.521D-01 0.890D-01 0.992D+00
 Gap=     0.425 Goal=   None    Shift=    0.000
 RMSDP=7.73D-09 MaxDP=1.64D-07 DE=-1.36D-12 OVMax= 5.68D-07

 SCF Done:  E(RwB97XD) =  -606.828045946     A.U. after   12 cycles
            NFock= 12  Conv=0.77D-08     -V/T= 2.0089
 KE= 6.014871619586D+02 PE=-2.588176022213D+03 EE= 7.973033410280D+02
 Leave Link  502 at Fri Jul 23 18:09:19 2021, MaxMem= 10737418240 cpu:             882.9 elap:              55.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   266
 NBasis=   266 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    266 NOA=    39 NOB=    39 NVA=   227 NVB=   227

 **** Warning!!: The largest alpha MO coefficient is  0.34547412D+02

 Leave Link  801 at Fri Jul 23 18:09:20 2021, MaxMem= 10737418240 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4853 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.48D-13 8.33D-09 XBig12= 1.00D+00 2.97D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.48D-13 8.33D-09 XBig12= 2.50D-01 7.15D-02.
     11 vectors produced by pass  2 Test12= 1.48D-13 8.33D-09 XBig12= 4.88D-02 6.03D-02.
     11 vectors produced by pass  3 Test12= 1.48D-13 8.33D-09 XBig12= 5.69D-03 1.59D-02.
     11 vectors produced by pass  4 Test12= 1.48D-13 8.33D-09 XBig12= 5.82D-04 4.45D-03.
     11 vectors produced by pass  5 Test12= 1.48D-13 8.33D-09 XBig12= 3.14D-05 1.15D-03.
     11 vectors produced by pass  6 Test12= 1.48D-13 8.33D-09 XBig12= 7.36D-07 1.60D-04.
     11 vectors produced by pass  7 Test12= 1.48D-13 8.33D-09 XBig12= 1.72D-08 1.78D-05.
     11 vectors produced by pass  8 Test12= 1.48D-13 8.33D-09 XBig12= 3.87D-10 2.19D-06.
     11 vectors produced by pass  9 Test12= 1.48D-13 8.33D-09 XBig12= 7.39D-12 3.21D-07.
      8 vectors produced by pass 10 Test12= 1.48D-13 8.33D-09 XBig12= 1.16D-13 4.44D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.95D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.851764D+02
      2 -0.225442D-01  0.767491D+02
      3  0.235145D+01 -0.496731D+00  0.529973D+02
 Isotropic polarizability for W=    0.088559       71.64 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.117963D+02  0.221786D+02 -0.446919D+01
      2   0.537948D+01 -0.132729D+02  0.372367D+01
      3   0.641686D+01 -0.890571D+01  0.745520D+00
      4   0.180693D+02 -0.244212D+01 -0.105320D+02
      5  -0.422028D+01 -0.828900D+01 -0.336331D+01
      6  -0.723019D+01  0.738298D+00  0.782924D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.398615D+01 -0.835847D+00 -0.476791D+01
      2  -0.160853D+01 -0.459769D+01 -0.324235D+01
      3  -0.139313D+02 -0.147285D+01  0.111856D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.224299D+01 -0.298538D+01 -0.167350D+02
      2  -0.248916D+00 -0.330179D+01 -0.978017D+01
      3  -0.410931D+01  0.782160D+01  0.105880D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.117882D+01  0.206807D+00  0.206927D+01
      2   0.206807D+00  0.172691D+01  0.933977D+00
      3   0.206927D+01  0.933977D+00 -0.410731D-01
 OR G Eigenvalues:    -2.7931     0.7781     2.5220  Iso=    -0.1690
 Eigenvectors:
   (1)   0.780627   0.092020  -0.618186
   (2)  -0.514657   0.655840  -0.552269
   (3)   0.354611   0.749270   0.559326
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1690 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -57.10 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   35511 ScalPx= 3.14D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.17D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.46D-14 2.78D-09 XBig12= 1.00D+00 4.05D-01.
     30 vectors produced by pass  1 Test12= 2.46D-14 2.78D-09 XBig12= 8.75D-02 5.42D-02.
     30 vectors produced by pass  2 Test12= 2.46D-14 2.78D-09 XBig12= 2.36D-03 9.20D-03.
     30 vectors produced by pass  3 Test12= 2.46D-14 2.78D-09 XBig12= 4.24D-05 1.23D-03.
     30 vectors produced by pass  4 Test12= 2.46D-14 2.78D-09 XBig12= 8.64D-07 1.38D-04.
     30 vectors produced by pass  5 Test12= 2.46D-14 2.78D-09 XBig12= 1.46D-08 1.65D-05.
     30 vectors produced by pass  6 Test12= 2.46D-14 2.78D-09 XBig12= 1.18D-10 1.11D-06.
     30 vectors produced by pass  7 Test12= 2.46D-14 2.78D-09 XBig12= 7.69D-13 1.05D-07.
      8 vectors produced by pass  8 Test12= 2.46D-14 2.78D-09 XBig12= 5.92D-15 9.47D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   248 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 9.62D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 9.62D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.73D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.851764D+02 -0.225442D-01  0.235145D+01
      2  -0.225442D-01  0.767491D+02 -0.496731D+00
      3   0.235145D+01 -0.496731D+00  0.529973D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.398615D+01 -0.835847D+00 -0.476791D+01
      2  -0.160853D+01 -0.459769D+01 -0.324235D+01
      3  -0.139313D+02 -0.147285D+01  0.111856D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.117963D+02  0.221786D+02 -0.446919D+01
      2   0.537948D+01 -0.132729D+02  0.372367D+01
      3   0.641686D+01 -0.890571D+01  0.745520D+00
      4   0.180693D+02 -0.244212D+01 -0.105320D+02
      5  -0.422028D+01 -0.828900D+01 -0.336331D+01
      6  -0.723019D+01  0.738298D+00  0.782924D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.225021D+01 -0.681875D+00 -0.953315D-01  0.264551D+01  0.112177D+01
      2  -0.681875D+00  0.197375D+01 -0.261111D+00  0.112177D+01  0.522486D+01
      3  -0.953315D-01 -0.261111D+00  0.363361D+00 -0.243610D+00 -0.311920D+00
                 6             7             8             9            10 
      1  -0.243610D+00 -0.193652D+01  0.363727D+00  0.294833D+00 -0.214694D+01
      2  -0.311920D+00  0.363727D+00 -0.846960D+00 -0.559603D-01 -0.208736D+01
      3   0.725670D-01  0.294833D+00 -0.559603D-01 -0.825634D+00  0.260725D+00
                11            12            13            14            15 
      1  -0.208736D+01  0.260725D+00 -0.575139D+01 -0.130800D+00 -0.340853D-01
      2  -0.860474D+00  0.858152D-01 -0.130800D+00 -0.116970D+02  0.639087D+00
      3   0.858152D-01 -0.457429D+00 -0.340853D-01  0.639087D+00 -0.206807D+01
                16            17            18            19            20 
      1   0.998702D+00  0.381508D-01 -0.285836D+00  0.896525D+01  0.209823D+00
      2   0.381508D-01  0.884509D+00 -0.260993D+01  0.209823D+00  0.744980D+00
      3  -0.285836D+00 -0.260993D+01  0.925935D+00  0.550908D+00  0.114009D+00
                21            22            23            24            25 
      1   0.550908D+00 -0.187416D+01  0.110616D+01 -0.175677D+00  0.185997D+01
      2   0.114009D+00  0.110616D+01 -0.321081D+01  0.656508D+00 -0.154584D+00
      3   0.125577D+01 -0.175677D+00  0.656508D+00 -0.119951D+00  0.224152D+01
                26            27            28            29            30 
      1  -0.154584D+00  0.224152D+01  0.557652D+01 -0.109290D+01 -0.796995D+00
      2   0.842655D+00  0.421348D+00 -0.109290D+01 -0.672323D+00  0.446535D+00
      3   0.421348D+00  0.957800D+00 -0.796995D+00  0.446535D+00  0.212680D+01
                31            32            33            34            35 
      1  -0.762746D+00 -0.187225D+01  0.916349D+00 -0.263960D+01  0.597981D+00
      2  -0.187225D+01 -0.122102D+01  0.280674D+00  0.597981D+00  0.210319D+00
      3   0.916349D+00  0.280674D+00  0.149814D+01  0.284366D+01  0.371794D+00
                36            37            38            39            40 
      1   0.284366D+01 -0.550621D+01  0.157121D+01  0.737508D+00 -0.321038D+00
      2   0.371794D+00  0.157121D+01  0.115199D+01  0.610374D+00  0.189261D+01
      3   0.454247D+01  0.737508D+00  0.610374D+00 -0.190891D+01  0.104644D+01
                41            42            43            44            45 
      1   0.189261D+01  0.104644D+01  0.272902D+01  0.264138D-01 -0.278677D+01
      2  -0.259927D+00 -0.115773D+00  0.264138D-01  0.275041D+00  0.117838D+01
      3  -0.115773D+00  0.159943D+01 -0.278677D+01  0.117838D+01 -0.436746D+01
                46            47            48            49            50 
      1   0.714061D+01 -0.244648D+01  0.811745D+00 -0.412878D+01 -0.101751D+01
      2  -0.244648D+01  0.109138D+01 -0.134112D+00 -0.101751D+01  0.293797D+00
      3   0.811745D+00 -0.134112D+00  0.727766D+00 -0.784314D+00 -0.163278D+00
                51            52            53            54            55 
      1  -0.784314D+00  0.165775D+01 -0.249622D+00  0.364175D+00 -0.147746D+02
      2  -0.163278D+00 -0.249622D+00  0.655423D+00 -0.769612D+00  0.195581D+01
      3  -0.108798D+01  0.364175D+00 -0.769612D+00  0.872544D+00 -0.123359D+01
                56            57            58            59            60 
      1   0.195581D+01 -0.123359D+01  0.257020D+01 -0.231228D+01  0.329301D+00
      2  -0.381450D+01  0.925848D-01 -0.231228D+01  0.233431D+01 -0.298102D+00
      3   0.925848D-01 -0.237683D+01  0.329301D+00 -0.298102D+00  0.100512D+01
                61            62            63            64            65 
      1  -0.215373D+01  0.238854D+00 -0.333665D+01  0.503435D+01  0.125885D+01
      2   0.238854D+00 -0.932090D+00  0.798887D+00  0.125885D+01  0.401987D+01
      3  -0.333665D+01  0.798887D+00 -0.168379D+01 -0.671349D+00 -0.486255D+00
                66            67            68            69            70 
      1  -0.671349D+00  0.162537D+00  0.282164D+01 -0.305597D+00 -0.626573D+00
      2  -0.486255D+00  0.282164D+01  0.279423D+01 -0.106079D+01 -0.173759D-01
      3   0.515260D+00 -0.305597D+00 -0.106079D+01 -0.797939D-01  0.748458D+00
                71            72            73            74            75 
      1  -0.173759D-01  0.748458D+00  0.248333D+01  0.123927D+01  0.626199D+00
      2  -0.110753D+01  0.122932D+01  0.123927D+01  0.177785D+01 -0.176443D+00
      3   0.122932D+01 -0.718623D+00  0.626199D+00 -0.176443D+00  0.832817D+00
                76            77            78            79            80 
      1   0.163479D+01 -0.865108D+00 -0.710394D+00  0.122024D+01 -0.400474D+00
      2  -0.865108D+00  0.614856D+01  0.125600D+01 -0.400474D+00  0.177341D+01
      3  -0.710394D+00  0.125600D+01  0.646603D+00 -0.283810D+00  0.152697D+01
                81            82            83            84            85 
      1  -0.283810D+00 -0.771493D+01 -0.136289D+01 -0.689556D+00  0.684450D+00
      2   0.152697D+01 -0.136289D+01 -0.150782D+01 -0.643093D-01 -0.574019D+00
      3   0.111344D+01 -0.689556D+00 -0.643093D-01 -0.193307D+00  0.362737D+00
                86            87            88            89            90 
      1  -0.574019D+00  0.362737D+00 -0.127507D+01  0.611900D-01  0.284421D-01
      2  -0.719937D+01 -0.287689D+00  0.611900D-01 -0.774759D+00 -0.189572D+01
      3  -0.287689D+00 -0.110001D+01  0.284421D-01 -0.189572D+01 -0.480744D+00
                91            92            93            94            95 
      1  -0.191059D+01 -0.236838D+00 -0.113031D+01 -0.416946D+00  0.168592D+00
      2  -0.236838D+00 -0.314509D+00 -0.112895D+00  0.168592D+00 -0.489748D+00
      3  -0.113031D+01 -0.112895D+00 -0.158897D+01 -0.309521D+00 -0.120143D+01
                96            97            98            99           100 
      1  -0.309521D+00 -0.150520D+01 -0.315872D+00 -0.106416D+01  0.198035D+01
      2  -0.120143D+01 -0.315872D+00 -0.176566D+01 -0.510354D+00 -0.493761D+00
      3  -0.972056D+00 -0.106416D+01 -0.510354D+00 -0.720588D+01  0.116133D+01
               101           102           103           104           105 
      1  -0.493761D+00  0.116133D+01 -0.610595D+00 -0.116735D+00 -0.296173D+00
      2   0.127304D+00 -0.182259D+00 -0.116735D+00 -0.536824D+00  0.120306D+01
      3  -0.182259D+00  0.154687D+01 -0.296173D+00  0.120306D+01 -0.104948D+01
               106           107           108           109           110 
      1   0.157167D+01 -0.222695D+00  0.132554D+01  0.848049D+01 -0.410619D+00
      2  -0.222695D+00  0.160591D+01 -0.736459D+00 -0.410619D+00  0.135250D+01
      3   0.132554D+01 -0.736459D+00  0.711516D+01  0.429177D+00  0.196091D+00
               111           112           113           114           115 
      1   0.429177D+00 -0.477323D+00  0.365673D+00 -0.165780D-01  0.118310D+01
      2   0.196091D+00  0.365673D+00 -0.183562D+01  0.498045D-01 -0.838197D-01
      3   0.342267D+00 -0.165780D-01  0.498045D-01 -0.527905D+00  0.224703D-01
               116           117           118           119           120 
      1  -0.838197D-01  0.224703D-01  0.156393D+01  0.120621D+01 -0.126104D+00
      2   0.290559D+00 -0.510404D+00  0.120621D+01  0.711022D+00  0.961206D-01
      3  -0.510404D+00  0.682478D-01 -0.126104D+00  0.961206D-01  0.578834D+00
               121           122           123           124           125 
      1   0.367008D+01  0.113978D+01  0.433343D+00 -0.386237D+00  0.875108D-01
      2   0.113978D+01  0.438000D+01 -0.318417D+00  0.875108D-01 -0.386662D+00
      3   0.433343D+00 -0.318417D+00  0.779407D+00  0.569893D+00  0.436947D+00
               126           127           128           129           130 
      1   0.569893D+00 -0.229082D+01  0.595170D+00  0.619033D+00  0.213831D+01
      2   0.436947D+00  0.595170D+00 -0.232890D+01  0.626781D-01 -0.703491D+00
      3   0.863629D-01  0.619033D+00  0.626781D-01 -0.513494D+00 -0.250346D+00
               131           132           133           134           135 
      1  -0.703491D+00 -0.250346D+00  0.745625D+00 -0.757069D-01 -0.100628D+00
      2   0.506555D+01  0.469430D-02 -0.757069D-01  0.555326D+00  0.764419D+00
      3   0.469430D-02  0.110248D+01 -0.100628D+00  0.764419D+00  0.916612D-02
               136           137           138           139           140 
      1  -0.463052D+01  0.776370D+00 -0.453395D+00  0.837091D+00 -0.102404D+01
      2   0.776370D+00 -0.345212D+01 -0.286825D+00 -0.102404D+01  0.209031D+00
      3  -0.453395D+00 -0.286825D+00 -0.125080D+01  0.381278D-01 -0.332428D+00
               141           142           143           144 
      1   0.381278D-01 -0.144314D+01  0.106322D+00 -0.581140D+00
      2  -0.332428D+00  0.106322D+00 -0.127948D+01  0.360386D+00
      3   0.301510D+00 -0.581140D+00  0.360386D+00 -0.409005D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.232858D+00 -0.184090D+01  0.126558D+01 -0.356887D+01  0.269394D+01
      2   0.334587D+01 -0.301689D+01 -0.449442D+01 -0.443644D+01  0.489484D+00
      3  -0.217897D+00 -0.374205D+01  0.216813D+01 -0.662806D+01 -0.619476D+01
                 6             7             8             9            10 
      1   0.773899D+01 -0.360810D+00  0.953259D+01 -0.282841D+01  0.244369D+00
      2   0.175823D+00 -0.132912D+02  0.230584D+01 -0.459355D+01 -0.258861D+00
      3   0.190005D+01  0.451158D+01  0.277660D+01 -0.147056D+01  0.611354D+01
                11            12            13            14            15 
      1   0.275957D+00 -0.475419D+00  0.787561D-01  0.195320D+00 -0.104913D+02
      2   0.689901D+00  0.315060D+01  0.860790D+00  0.920235D+00 -0.194344D+01
      3  -0.901327D+00 -0.106709D+01  0.176076D+02  0.177937D+02 -0.113936D+01
                16            17            18            19            20 
      1   0.133981D+01 -0.492700D+00  0.223247D+01  0.618819D+00  0.666643D+00
      2  -0.243651D+01 -0.526783D+01  0.213446D+01  0.844292D+00  0.575213D+00
      3  -0.286489D+01 -0.126514D+01  0.514244D+01 -0.257762D+01 -0.917941D+01
                21            22            23            24            25 
      1  -0.536944D+00  0.769629D+00 -0.159611D+01 -0.212853D+01  0.168334D+01
      2   0.881797D+01  0.827817D+00  0.189159D+01 -0.133768D+01  0.479687D+01
      3  -0.557445D+00 -0.392669D+00  0.134424D+02 -0.264397D+01 -0.105157D+01
                26            27            28            29            30 
      1   0.169997D+01  0.402274D+00  0.459607D+00  0.116476D+01  0.172887D+01
      2  -0.145275D+01  0.354955D+01 -0.286725D+01  0.910837D+00  0.350067D+01
      3  -0.408065D+01 -0.164807D+01  0.555092D+00 -0.349559D+01 -0.116832D+00
                31            32            33            34            35 
      1   0.322472D+01  0.273059D+00 -0.221902D+01 -0.176092D+01  0.256316D+01
      2   0.257814D+01 -0.495794D+00 -0.169874D+01 -0.293289D+01  0.731681D+00
      3   0.494810D+01  0.178734D+01 -0.102276D+01 -0.149252D+01 -0.365293D+00
                36            37            38            39            40 
      1  -0.155257D+01 -0.574194D+00  0.199450D+01 -0.147040D+01  0.110532D+01
      2   0.358603D+01 -0.160883D+01 -0.779738D+00  0.284864D+01 -0.229718D+01
      3  -0.732854D-01  0.907486D+00 -0.160638D+01 -0.121226D-01  0.634628D+01
                41            42            43            44            45 
      1  -0.219516D+00 -0.193347D+01  0.111324D+01  0.207040D+01  0.210639D+01
      2  -0.849660D+00  0.107787D+01 -0.343385D+01 -0.185067D+01  0.333024D+01
      3   0.642130D+00  0.556958D+00  0.228673D+01 -0.729974D+00  0.569290D+00
                46            47            48            49            50 
      1   0.459036D-01 -0.482971D+01 -0.161653D+01 -0.382957D+01 -0.268492D+01
      2   0.384027D+01  0.285061D+01 -0.836048D+01  0.403158D+01  0.175484D+01
      3  -0.543613D+01  0.742887D+01 -0.130621D+01  0.351421D+01 -0.434576D+01
                51            52            53            54            55 
      1   0.541890D+01  0.198575D+01  0.122813D+02  0.241181D+01 -0.106161D+01
      2   0.244061D+01 -0.132773D+02 -0.202943D+01 -0.549440D+01  0.467721D+00
      3   0.180635D+01 -0.227634D+01  0.542090D+01 -0.880079D+00  0.967433D+01
                56            57            58            59            60 
      1   0.225700D+01  0.675836D+00  0.108964D+01 -0.503941D+00 -0.350112D+01
      2  -0.694133D+00  0.137327D+02 -0.127376D+01 -0.120236D+00 -0.226084D+01
      3  -0.198298D+02  0.736054D+00 -0.268218D+01  0.101598D+02 -0.726484D+00
                61            62            63            64            65 
      1  -0.258989D+01  0.150682D+01 -0.970321D+00  0.180659D+01 -0.214694D+01
      2   0.481063D+01  0.560933D+00  0.518748D+01  0.160816D+01  0.880808D-01
      3   0.106005D+01 -0.432640D+01  0.349904D+01  0.126953D+02 -0.923360D+01
                66            67            68            69            70 
      1  -0.308937D+01 -0.263137D+01 -0.690947D+00 -0.342128D+01 -0.150854D+01
      2   0.369804D+01 -0.122380D+00 -0.226690D+00  0.195301D+01 -0.187248D+01
      3  -0.191227D+01 -0.301912D+01  0.140379D+01  0.199816D+01 -0.333422D+01
                71            72            73            74            75 
      1   0.304519D+01  0.883476D+00 -0.121537D+01 -0.743773D+00 -0.691865D+00
      2   0.120727D+01 -0.974577D+00 -0.185490D+01 -0.164565D+01  0.132248D+01
      3   0.168293D+01  0.241866D+00  0.119415D+02  0.651867D+01  0.265630D+01
                76            77            78            79            80 
      1  -0.959837D-01  0.282044D+01 -0.568644D+01 -0.242113D+00  0.139740D+01
      2  -0.463515D+00 -0.687458D+00 -0.214910D+01 -0.328166D+01 -0.293611D+00
      3   0.808113D+01  0.723803D+01  0.231179D+00  0.430147D+01  0.342799D+01
                81            82            83            84            85 
      1  -0.154732D+01 -0.138082D+01  0.113902D+01 -0.755995D+00  0.155242D+00
      2  -0.165274D+01  0.819927D-02 -0.150763D+00  0.356754D+01 -0.106794D+01
      3   0.187146D+01  0.220944D+02 -0.566580D+01  0.160113D+01  0.455896D+01
                86            87            88            89            90 
      1  -0.167535D+00 -0.740378D+01 -0.196079D+01 -0.226211D+01 -0.172125D+01
      2   0.204876D+00  0.328672D+00 -0.106873D+01  0.401608D+01  0.131485D+01
      3  -0.823558D+01 -0.833352D+00  0.442687D+01 -0.207438D+01 -0.315819D+01
                91            92            93            94            95 
      1   0.871747D+00  0.941139D+00  0.661459D+00  0.802218D+00  0.764984D+00
      2  -0.219158D+01 -0.494817D+00 -0.603285D+00 -0.126275D+01 -0.122064D+01
      3  -0.587590D+00 -0.275265D+00 -0.254751D+00  0.921862D+00  0.204462D+00
                96            97            98            99           100 
      1   0.654434D+00  0.582242D+00  0.331615D+01  0.218675D+01 -0.904680D+00
      2  -0.600260D+00 -0.351609D+01 -0.239262D+00 -0.426753D+01 -0.203433D+01
      3   0.758076D+00 -0.262848D+00  0.533280D+00 -0.289245D+00  0.190797D+00
               101           102           103           104           105 
      1   0.791973D+00 -0.784987D+00  0.680936D+00 -0.125509D+01  0.592487D+00
      2   0.454358D+00 -0.530350D+00  0.124342D+01 -0.853201D+00  0.617917D+00
      3  -0.743361D+00  0.261969D+00  0.827794D+00 -0.682451D+00  0.724941D+00
               106           107           108           109           110 
      1  -0.841033D+00  0.306318D+01 -0.262713D+01  0.124249D+01 -0.433051D+00
      2  -0.387254D+01  0.711509D+00 -0.410883D+01  0.253517D+00 -0.190301D+00
      3  -0.152413D+00  0.343856D+00 -0.205585D+00 -0.269103D+02  0.688167D+01
               111           112           113           114           115 
      1   0.107294D+01 -0.469354D+00  0.649204D-01 -0.590692D+00  0.496618D+00
      2  -0.276650D+01  0.288734D-01 -0.106131D+00  0.331222D+00 -0.278016D+01
      3  -0.121499D+01  0.410959D+01 -0.221581D+01  0.142397D+00 -0.365512D+01
               116           117           118           119           120 
      1   0.488909D+00  0.270886D+00  0.423300D+00 -0.419658D+00 -0.759378D+00
      2   0.340591D+00 -0.225496D+00 -0.190236D+00 -0.773080D-01  0.690056D+00
      3   0.112085D+01 -0.309846D+00 -0.408213D+01 -0.894800D+00 -0.498260D+00
               121           122           123           124           125 
      1  -0.212942D-01  0.203685D+01 -0.387602D+00  0.147910D+00  0.983317D+00
      2   0.639201D+00 -0.155148D+01  0.318520D+01  0.100861D+00  0.188677D+01
      3  -0.139753D+01 -0.191312D+02  0.194454D+01 -0.151257D-01  0.240291D+01
               126           127           128           129           130 
      1  -0.215236D+00 -0.309215D+01  0.148922D+01  0.189930D+01  0.130010D+01
      2  -0.411815D+00 -0.106488D+01  0.298545D+00 -0.672347D+00  0.555167D+00
      3  -0.119169D+01 -0.113557D+02  0.532470D+01  0.281683D+01  0.856479D+01
               131           132           133           134           135 
      1  -0.229546D+01 -0.279329D+01  0.507802D+00 -0.125591D+01 -0.660937D+00
      2  -0.309834D+00  0.697600D+00 -0.110648D+01  0.507688D+00  0.734605D+00
      3  -0.853354D+01 -0.110849D+01  0.358674D+01 -0.157308D+01 -0.122628D+01
               136           137           138           139           140 
      1   0.228314D+01 -0.306185D+00  0.287690D+01  0.232558D+00  0.812332D+00
      2   0.288019D+01  0.933736D+00  0.259693D+01  0.158974D+00  0.116009D+01
      3  -0.129946D+02 -0.896282D+01 -0.305244D+01 -0.277179D+01 -0.334292D+01
               141           142           143           144 
      1  -0.346576D+00  0.139687D+01  0.438683D+00  0.138112D+01
      2  -0.817863D+00  0.572555D+00 -0.112446D+01  0.715334D+00
      3  -0.141185D+01 -0.506839D+01 -0.329440D+01 -0.871258D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.199191D+02  0.197716D+01 -0.751664D+00 -0.488159D+00  0.234898D+02
      2   0.114706D+02 -0.477859D+01  0.225292D+01  0.591544D+00 -0.302547D+02
      3   0.844849D+01  0.280143D+01 -0.150125D+01 -0.103385D+00  0.676492D+01
      4  -0.579906D+01  0.502369D+00 -0.969136D+00 -0.464175D+01  0.904447D+01
      5  -0.235017D+01 -0.203744D+01 -0.755744D+01  0.441951D+00  0.554759D+00
      6   0.518206D+00 -0.142820D+00 -0.466927D+01  0.101712D+00  0.174270D+01
                 6             7             8             9            10 
      1  -0.277389D+01 -0.832038D+01 -0.544419D+01 -0.274946D+01 -0.237962D+01
      2   0.709556D-01  0.608909D+01  0.419918D+01 -0.627834D+01  0.613852D+01
      3   0.270293D+01  0.223129D+01  0.124502D+01  0.902780D+01 -0.375890D+01
      4  -0.912498D+00  0.638998D+00 -0.171296D+01 -0.865268D+00 -0.446190D+01
      5  -0.211030D+01  0.290921D+01  0.121971D+01 -0.492397D+01  0.302098D-02
      6  -0.889329D+01 -0.713267D+00  0.190333D+01  0.357985D+01 -0.111454D+01
                11            12            13            14            15 
      1  -0.878997D+01  0.748691D+00 -0.142278D+02 -0.354123D+02  0.118409D+01
      2   0.721736D+01 -0.771871D+00  0.826657D+01  0.529275D+02 -0.802322D+00
      3   0.157262D+01  0.231801D-01  0.596120D+01 -0.175152D+02 -0.381767D+00
      4   0.153776D+02 -0.791004D+00  0.150389D+02 -0.280834D+02  0.129674D+01
      5  -0.189668D+00  0.511626D+01 -0.165095D+01 -0.172076D+00 -0.427890D+01
      6  -0.416134D+00  0.134678D+01 -0.924956D+00 -0.265542D+01  0.156371D+02
                16            17            18            19            20 
      1   0.280810D+01  0.385042D+01 -0.969568D+01  0.642370D+02  0.124743D+01
      2  -0.234683D+01 -0.277114D+01  0.678718D+01 -0.383864D+02 -0.589814D+00
      3  -0.461263D+00 -0.107928D+01  0.290850D+01 -0.258506D+02 -0.657614D+00
      4  -0.120362D+01  0.160397D+01 -0.735033D+01  0.586577D+00  0.105153D+02
      5   0.377046D+01 -0.829095D+01  0.241294D+01  0.460255D+01  0.137867D+01
      6   0.535967D+00  0.138207D+02 -0.406805D+01  0.803083D+00  0.482514D+00
                21            22            23            24            25 
      1   0.267055D+01 -0.773441D+01  0.397604D+01 -0.565728D+00  0.733528D+01
      2  -0.256494D+01  0.374049D+01 -0.510628D+00  0.823247D+00 -0.662481D+01
      3  -0.105606D+00  0.399392D+01 -0.346541D+01 -0.257519D+00 -0.710467D+00
      4   0.103689D+01  0.116456D+02 -0.149556D+02  0.322895D+01  0.164453D+01
      5   0.170935D+02 -0.382007D+00  0.328810D+01 -0.515672D+00  0.189245D+02
      6   0.130071D+01  0.157983D+00  0.619481D-01  0.420542D+01 -0.122588D+01
                26            27            28            29            30 
      1   0.132112D+01  0.965318D+01 -0.123671D+00  0.549912D+01  0.137119D+01
      2  -0.107336D+00 -0.109799D+02  0.171599D+01 -0.565563D+01  0.377447D+01
      3  -0.121378D+01  0.132667D+01 -0.159232D+01  0.156513D+00 -0.514566D+01
      4   0.358376D+01 -0.378611D+00 -0.241913D+01 -0.292853D+01  0.356735D-03
      5   0.141393D+01  0.724314D+01 -0.119205D+01  0.182913D+01  0.486464D+00
      6   0.372239D+01 -0.213732D+00 -0.148350D+01  0.157316D+01 -0.313901D+01
                31            32            33            34            35 
      1   0.101468D+01 -0.876877D+00  0.377719D+01  0.226678D+01  0.250933D+01
      2   0.521004D+00 -0.222194D+01  0.294785D+01  0.316531D+01 -0.779676D+00
      3  -0.153568D+01  0.309882D+01 -0.672504D+01 -0.543210D+01 -0.172965D+01
      4  -0.857393D+01 -0.783141D+01  0.211242D+01 -0.165094D+01  0.266724D+01
      5   0.103240D+01  0.129385D+01 -0.330087D+01  0.160108D+01  0.156456D+01
      6   0.181049D+01  0.168771D+01 -0.429145D+01  0.297301D+01  0.921088D+00
                36            37            38            39            40 
      1   0.810141D+01  0.160271D+01 -0.648621D+01  0.216988D+01  0.369644D+00
      2   0.750480D+01 -0.139774D+01  0.464009D+01  0.204280D+01 -0.228324D+01
      3  -0.156062D+02 -0.204970D+00  0.184611D+01 -0.421268D+01  0.191360D+01
      4   0.458683D+01  0.340080D+00 -0.341067D+01 -0.330007D+00 -0.788323D+01
      5   0.740594D+00 -0.894055D-01 -0.140537D+01 -0.275199D+00 -0.797030D+00
      6  -0.117116D+01  0.129395D+01  0.697450D+00  0.392847D+01  0.309111D+01
                41            42            43            44            45 
      1  -0.361912D+00 -0.351544D+01  0.435882D+01 -0.296839D+01  0.855444D+01
      2  -0.305958D+01 -0.295731D+01  0.250480D+01 -0.941170D+00  0.611838D+01
      3   0.342149D+01  0.647275D+01 -0.686362D+01  0.390956D+01 -0.146728D+02
      4   0.267266D+01  0.244754D+01  0.237522D-01  0.164068D+01 -0.548313D+01
      5   0.363297D+00  0.328243D+01  0.105555D+01 -0.201899D+01  0.791731D+00
      6  -0.189549D+01 -0.432727D+01 -0.293542D+01  0.132450D+01  0.990729D+00
                46            47            48            49            50 
      1  -0.457620D+02  0.491351D+01 -0.260966D+01  0.185020D+02  0.136650D+02
      2   0.296979D+02 -0.295920D-01  0.498300D+01 -0.121102D+02 -0.175030D+02
      3   0.160641D+02 -0.488392D+01 -0.237334D+01 -0.639182D+01  0.383804D+01
      4   0.854559D+01 -0.112591D+02  0.471517D+00  0.245021D+01  0.300471D+01
      5  -0.575237D+01  0.160175D+01 -0.130119D+02  0.285039D+01  0.921483D+00
      6   0.286487D+00 -0.676726D+00  0.436448D+01  0.144285D+01 -0.355663D+00
                51            52            53            54            55 
      1   0.391471D+01 -0.104962D+02  0.515718D+01 -0.728921D+01  0.952652D+02
      2  -0.126229D+01  0.800811D+01 -0.269030D+01 -0.201377D+01 -0.571403D+02
      3  -0.265242D+01  0.248814D+01 -0.246688D+01  0.930298D+01 -0.381250D+02
      4   0.956092D+00  0.199110D+01 -0.357115D+01  0.261487D+01 -0.557024D+01
      5   0.620962D+01  0.735889D+00  0.124794D+01 -0.714825D+01  0.908496D+01
      6  -0.755702D+01 -0.844961D-01  0.244087D+01 -0.231156D+01 -0.103296D+01
                56            57            58            59            60 
      1  -0.107139D+02  0.528579D+01 -0.122866D+02  0.849615D+01 -0.167298D+01
      2   0.766305D+01 -0.529180D+01  0.879308D+01 -0.145882D+01  0.138229D+01
      3   0.305081D+01  0.600905D-02  0.349352D+01 -0.703733D+01  0.290689D+00
      4   0.242143D+02 -0.613182D+00  0.185740D+02 -0.826798D+01  0.229832D+01
      5  -0.156330D+01  0.240262D+02 -0.213285D+01  0.228410D+01 -0.528506D+01
      6   0.151097D+01 -0.141541D+01  0.116929D+01 -0.479060D-01  0.557784D+01
                61            62            63            64            65 
      1   0.963747D+01 -0.259307D+01  0.144379D+02  0.136757D+02 -0.915878D+01
      2  -0.898907D+01  0.176455D+01 -0.144068D+02 -0.618526D+01  0.166397D+02
      3  -0.648406D+00  0.828514D+00 -0.311610D-01 -0.749049D+01 -0.748090D+01
      4  -0.252257D+01  0.474526D+01 -0.187126D+01  0.163465D+02  0.143702D+02
      5   0.250260D+02 -0.350124D+01  0.115182D+02 -0.268483D+01 -0.139889D+01
      6   0.153074D+01  0.439955D+01  0.266330D+00 -0.322941D+01 -0.356901D+01
                66            67            68            69            70 
      1   0.460659D+00 -0.507906D+01 -0.273178D+01  0.143586D+01 -0.582222D+00
      2  -0.802479D+00  0.864048D+01  0.933122D+01 -0.329212D+01  0.153519D+01
      3   0.341821D+00 -0.356142D+01 -0.659945D+01  0.185626D+01 -0.952967D+00
      4  -0.292652D+01  0.139498D+02  0.189759D+02 -0.207583D+01 -0.168842D+01
      5   0.729439D+01 -0.102349D+01 -0.418492D+01  0.393367D+01  0.568648D+01
      6   0.502373D+01 -0.170238D+01 -0.517453D+01  0.963897D+01  0.360565D+01
                71            72            73            74            75 
      1   0.458125D+01 -0.423486D+01 -0.389222D+01 -0.250325D+01 -0.266246D+01
      2  -0.315819D+01 -0.850110D+00  0.350675D+01  0.172032D+01  0.208373D+00
      3  -0.142306D+01  0.508497D+01  0.385469D+00  0.782936D+00  0.245409D+01
      4  -0.253493D+01  0.468075D+01  0.333581D+01  0.267308D+00  0.196508D+01
      5   0.302546D+01 -0.315929D+01 -0.230133D+01  0.535879D-01  0.486586D+01
      6   0.773236D+01 -0.378130D+01  0.323084D+01 -0.970982D+00 -0.153563D+00
                76            77            78            79            80 
      1  -0.186460D+01 -0.181307D+02 -0.204584D+01 -0.203475D+01 -0.504679D+01
      2  -0.782224D+00  0.285705D+02  0.270277D+01  0.136049D+01  0.403106D+01
      3   0.264683D+01 -0.104399D+02 -0.656923D+00  0.674261D+00  0.101573D+01
      4   0.129445D+02 -0.185109D+02 -0.432575D+01  0.461194D+01 -0.563510D+01
      5   0.194932D+01 -0.373938D+01 -0.525913D+01  0.442154D+01 -0.319715D+01
      6  -0.329306D+01  0.739896D+01  0.120053D+02 -0.148369D+01  0.890402D+01
                81            82            83            84            85 
      1  -0.686302D+01  0.103463D+02  0.342422D+01  0.131851D+01 -0.222900D+01
      2   0.146128D+01 -0.290704D+01 -0.924320D+00 -0.128365D+01  0.265042D+01
      3   0.540174D+01 -0.743929D+01 -0.249990D+01 -0.348640D-01 -0.421420D+00
      4  -0.316787D+01  0.194073D+02  0.196333D+02  0.142430D+01  0.834746D+01
      5  -0.387812D+01  0.104261D+01  0.226863D+00  0.679422D+01 -0.684672D+00
      6   0.532011D+01  0.294421D+01 -0.255270D+00  0.223133D+00 -0.176861D+01
                86            87            88            89            90 
      1  -0.235420D+02 -0.177769D+01  0.151375D+01 -0.284088D+01 -0.748037D+01
      2   0.371505D+02  0.109494D+01 -0.148543D+01  0.192496D+01  0.433785D+01
      3  -0.136084D+02  0.682749D+00 -0.283149D-01  0.915923D+00  0.314252D+01
      4   0.191275D+02 -0.304381D+00  0.229019D+01  0.195782D+01  0.638981D+01
      5  -0.684934D+00  0.149337D+01  0.423552D+01  0.641869D+01  0.142370D+01
      6   0.100358D+01  0.131878D+02 -0.106835D+00  0.119716D+02  0.260256D+01
                91            92            93            94            95 
      1  -0.178758D+01 -0.907816D+00 -0.307697D+01 -0.148061D+01 -0.263267D+01
      2  -0.348997D+01 -0.245219D+00 -0.215765D+01 -0.527374D+00 -0.958181D+00
      3   0.527755D+01  0.115304D+01  0.523462D+01  0.200798D+01  0.359085D+01
      4  -0.997399D+00  0.115249D+01 -0.756150D+00  0.231308D+01 -0.425360D+00
      5   0.168138D+01  0.151859D+00  0.469194D+01  0.442566D+00 -0.247326D+00
      6   0.291122D+00  0.785032D+00 -0.167049D+00  0.745189D+00  0.120747D+01
                96            97            98            99           100 
      1  -0.200156D+01 -0.330649D+01 -0.368404D+00 -0.174082D+02 -0.243459D+01
      2  -0.274678D+01 -0.267409D+01 -0.247684D+01 -0.146907D+02 -0.279161D+01
      3   0.474834D+01  0.598058D+01  0.284525D+01  0.320989D+02  0.522621D+01
      4  -0.955969D+00 -0.386490D+00 -0.253325D+01 -0.108312D+01  0.137938D+01
      5  -0.108991D+00  0.438182D+01 -0.166376D+00 -0.219290D+01  0.158831D+01
      6   0.538932D+01 -0.203895D+00  0.452720D+01 -0.777524D+00 -0.242385D+00
               101           102           103           104           105 
      1   0.131662D+01 -0.327758D+01  0.187252D+01 -0.246551D+01  0.226382D+01
      2   0.129679D+00 -0.184308D+01  0.372027D+00 -0.124274D+01  0.266759D+01
      3  -0.144630D+01  0.512065D+01 -0.224454D+01  0.370825D+01 -0.493141D+01
      4   0.171370D+01  0.765442D+00  0.221968D+01  0.931795D+00 -0.117536D+01
      5  -0.283586D+00  0.477157D+01 -0.607459D+00 -0.110721D+00  0.292650D+00
      6   0.855829D+00  0.576131D-01  0.830892D+00 -0.151791D+01  0.527506D+01
               106           107           108           109           110 
      1  -0.488178D+01  0.987760D+00 -0.179897D+02 -0.113712D+02  0.378589D+01
      2  -0.234542D+01  0.288418D+01 -0.134817D+02  0.575431D+01 -0.474158D+01
      3   0.722720D+01 -0.387194D+01  0.314715D+02  0.561687D+01  0.955686D+00
      4   0.726982D+00 -0.226711D+01  0.183601D+01 -0.154734D+02 -0.118542D+02
      5   0.422228D+01  0.101421D+00 -0.197865D+01 -0.102467D+01  0.814563D-01
      6   0.593827D+00  0.450757D+01  0.804905D+00 -0.228842D+01 -0.668488D+00
               111           112           113           114           115 
      1   0.520171D-01  0.193502D+01 -0.577100D+01  0.843390D-01 -0.112396D+01
      2  -0.944699D-02 -0.184308D+01  0.806972D+01 -0.193460D+00  0.589644D+00
      3  -0.425702D-01 -0.919365D-01 -0.229872D+01  0.109121D+00  0.534314D+00
      4  -0.904295D+00  0.750543D+00  0.164808D+01  0.760149D-01 -0.203885D+01
      5  -0.497022D+01  0.940486D-01 -0.227448D+00  0.593002D+00  0.251672D+00
      6  -0.129274D+01  0.192188D-02 -0.151417D+00  0.176323D+01 -0.349226D+00
               116           117           118           119           120 
      1   0.560464D+00 -0.217514D+01  0.707035D+01  0.581819D+01 -0.447195D+00
      2  -0.811117D+00  0.784156D+00 -0.265302D+01 -0.220494D+01  0.695656D+00
      3   0.250653D+00  0.139099D+01 -0.441734D+01 -0.361325D+01 -0.248461D+00
      4  -0.141546D+01  0.196141D+00  0.697115D+01  0.538836D+01 -0.657483D-01
      5   0.597144D+00 -0.358515D+00 -0.809163D+00  0.586277D-01  0.195380D+01
      6   0.258773D+01 -0.349919D+00 -0.274064D+00  0.198920D+00  0.108392D+01
               121           122           123           124           125 
      1   0.191557D+02  0.407940D+01  0.148168D+01 -0.257191D+01 -0.188909D+00
      2  -0.104484D+02 -0.763795D+00 -0.163153D+01  0.157047D+01  0.215130D-01
      3  -0.870729D+01 -0.331560D+01  0.149858D+00  0.100144D+01  0.167396D+00
      4   0.798928D+01  0.221420D+02 -0.956212D+00  0.195031D+00 -0.160855D+01
      5   0.199292D+01 -0.127706D+01  0.490032D+01  0.355087D+01  0.277944D+01
      6   0.116554D+01  0.911317D+00  0.310203D+00  0.626110D+00  0.163714D+01
               126           127           128           129           130 
      1   0.115832D+01 -0.487744D+01  0.807375D+01 -0.956223D+00  0.594631D+01
      2  -0.114792D+01  0.446854D+01 -0.112407D+02 -0.455424D+00 -0.564742D+01
      3  -0.104025D-01  0.408899D+00  0.316694D+01  0.141165D+01 -0.298889D+00
      4   0.285097D+01 -0.562011D+01 -0.724321D+00  0.155041D+01  0.438397D+01
      5  -0.210868D+00  0.108071D+01 -0.659982D+00 -0.135058D+01 -0.106624D+01
      6   0.454330D+00  0.171949D+01  0.221800D+01 -0.188117D+01 -0.576464D+00
               131           132           133           134           135 
      1  -0.167234D+02  0.910131D-01  0.209911D+01 -0.187047D+01 -0.260110D+01
      2   0.252204D+02  0.858550D+00 -0.135241D+01  0.295724D+01  0.272009D+01
      3  -0.849700D+01 -0.949563D+00 -0.746705D+00 -0.108677D+01 -0.118993D+00
      4   0.374606D+01 -0.663061D+00  0.140250D+01  0.141012D+01 -0.470026D-01
      5   0.677365D+00  0.174725D+01  0.898863D+00  0.634807D+00  0.122007D+01
      6  -0.164856D+01  0.429831D+01 -0.612944D+00  0.419450D+01  0.200782D+00
               136           137           138           139           140 
      1   0.139186D+02  0.247394D+01  0.283973D+01 -0.339063D+01  0.377576D+01
      2  -0.458562D+01 -0.758477D+01 -0.344510D+00  0.362785D-01 -0.964304D+00
      3  -0.933296D+01  0.511083D+01 -0.249522D+01  0.335436D+01 -0.281145D+01
      4  -0.165937D+02  0.137911D+02 -0.354679D+00  0.566832D+01 -0.324115D+01
      5  -0.528095D+00  0.165955D+01  0.306853D+01 -0.458909D+00  0.126092D+01
      6  -0.142210D+01 -0.162244D+01 -0.461064D+01  0.999291D-01 -0.106352D+01
               141           142           143           144 
      1   0.451591D+00  0.173080D+01  0.268475D+01  0.124991D+01
      2  -0.324678D+00 -0.572685D+00 -0.371575D+01 -0.119610D+01
      3  -0.126914D+00 -0.115811D+01  0.103100D+01 -0.538127D-01
      4   0.130445D+01 -0.403414D+01  0.366967D+01 -0.290879D+01
      5  -0.159336D+01  0.350471D+01 -0.185095D+01  0.851648D+00
      6   0.777778D+00 -0.217221D+01  0.215457D+01 -0.204308D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 18:19:34 2021, MaxMem= 10737418240 cpu:            9808.7 elap:             614.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.35386 -19.32663 -19.32316 -19.31095 -19.30429
 Alpha  occ. eigenvalues --  -19.28297 -10.48452 -10.46490 -10.41653 -10.41070
 Alpha  occ. eigenvalues --   -1.25365  -1.22784  -1.18850  -1.16530  -1.15893
 Alpha  occ. eigenvalues --   -1.13263  -0.90763  -0.81118  -0.75705  -0.72851
 Alpha  occ. eigenvalues --   -0.70396  -0.68491  -0.66234  -0.62149  -0.60044
 Alpha  occ. eigenvalues --   -0.59209  -0.56958  -0.55511  -0.54834  -0.54512
 Alpha  occ. eigenvalues --   -0.51632  -0.50445  -0.47053  -0.46009  -0.44641
 Alpha  occ. eigenvalues --   -0.43332  -0.41438  -0.40590  -0.39747
 Alpha virt. eigenvalues --    0.02754   0.04820   0.06103   0.08368   0.08976
 Alpha virt. eigenvalues --    0.09603   0.12762   0.13141   0.13369   0.14731
 Alpha virt. eigenvalues --    0.14898   0.15883   0.17192   0.17597   0.18392
 Alpha virt. eigenvalues --    0.18489   0.19724   0.20402   0.21190   0.21837
 Alpha virt. eigenvalues --    0.22132   0.22597   0.23521   0.25503   0.25904
 Alpha virt. eigenvalues --    0.26069   0.26583   0.27183   0.27618   0.30298
 Alpha virt. eigenvalues --    0.30996   0.31615   0.31933   0.32269   0.33108
 Alpha virt. eigenvalues --    0.34045   0.34187   0.34803   0.35193   0.36627
 Alpha virt. eigenvalues --    0.38033   0.38601   0.38675   0.39191   0.41235
 Alpha virt. eigenvalues --    0.41422   0.41866   0.42424   0.43256   0.43460
 Alpha virt. eigenvalues --    0.44043   0.44360   0.45755   0.46416   0.48184
 Alpha virt. eigenvalues --    0.49564   0.50287   0.50542   0.51308   0.52189
 Alpha virt. eigenvalues --    0.52963   0.53177   0.53736   0.54487   0.54922
 Alpha virt. eigenvalues --    0.56816   0.56846   0.57088   0.58241   0.59040
 Alpha virt. eigenvalues --    0.60330   0.61524   0.62108   0.62536   0.63051
 Alpha virt. eigenvalues --    0.64075   0.64889   0.65437   0.66027   0.67225
 Alpha virt. eigenvalues --    0.67386   0.68716   0.70038   0.71285   0.71704
 Alpha virt. eigenvalues --    0.72212   0.72988   0.73594   0.74129   0.74405
 Alpha virt. eigenvalues --    0.75032   0.76616   0.77018   0.77749   0.78131
 Alpha virt. eigenvalues --    0.80332   0.80802   0.82170   0.83066   0.85168
 Alpha virt. eigenvalues --    0.85287   0.86926   0.87486   0.88454   0.90182
 Alpha virt. eigenvalues --    0.91905   0.92329   0.94012   0.95311   0.96277
 Alpha virt. eigenvalues --    0.99440   1.00019   1.02920   1.04335   1.06346
 Alpha virt. eigenvalues --    1.08512   1.09120   1.10037   1.10963   1.13630
 Alpha virt. eigenvalues --    1.14243   1.16372   1.17272   1.19797   1.20293
 Alpha virt. eigenvalues --    1.22455   1.25545   1.26558   1.29635   1.30722
 Alpha virt. eigenvalues --    1.32700   1.36217   1.38732   1.47513   1.49184
 Alpha virt. eigenvalues --    1.53284   1.55217   1.57775   1.58924   1.61241
 Alpha virt. eigenvalues --    1.62306   1.62799   1.65721   1.67458   1.68611
 Alpha virt. eigenvalues --    1.70416   1.74889   1.76614   1.78359   1.78987
 Alpha virt. eigenvalues --    1.81210   1.83850   1.84732   1.86711   1.88470
 Alpha virt. eigenvalues --    1.89999   1.91378   1.92405   1.94775   1.95030
 Alpha virt. eigenvalues --    1.98024   1.99330   1.99876   2.02760   2.04270
 Alpha virt. eigenvalues --    2.05138   2.06476   2.08408   2.09933   2.12440
 Alpha virt. eigenvalues --    2.14388   2.16150   2.17987   2.18300   2.21871
 Alpha virt. eigenvalues --    2.23301   2.25876   2.29061   2.29655   2.31722
 Alpha virt. eigenvalues --    2.36634   2.38430   2.38716   2.41467   2.42222
 Alpha virt. eigenvalues --    2.44902   2.47565   2.48942   2.51083   2.59248
 Alpha virt. eigenvalues --    2.59729   2.62215   2.65743   2.71553   2.84834
 Alpha virt. eigenvalues --    2.93123   2.94349   2.99325   3.00368   3.03016
 Alpha virt. eigenvalues --    3.03589   3.06092   3.07455   3.08446   3.12098
 Alpha virt. eigenvalues --    3.13037   3.14722   3.15002   3.17025   3.18784
 Alpha virt. eigenvalues --    3.21154   3.29952   3.30789   3.32617   3.34226
 Alpha virt. eigenvalues --    3.50971   3.54157   3.60171   3.63493   3.64345
 Alpha virt. eigenvalues --    3.69536   3.87348   3.89309   4.00375   4.02555
 Alpha virt. eigenvalues --    4.05688   4.10131
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.898138  -0.191464  -0.156954  -0.559789  -0.005163   0.009502
     2  O   -0.191464   8.628602   0.090698   0.188911   0.008248  -0.015603
     3  O   -0.156954   0.090698   8.243130   0.080765  -0.016557  -0.007023
     4  C   -0.559789   0.188911   0.080765   5.609221   0.212441  -0.119207
     5  C   -0.005163   0.008248  -0.016557   0.212441   5.372677  -0.260951
     6  C    0.009502  -0.015603  -0.007023  -0.119207  -0.260951   5.561682
     7  O    0.000799  -0.000379   0.000449  -0.004280   0.060393   0.160473
     8  O    0.101943  -0.013990  -0.054931  -0.079879  -0.068265   0.012223
     9  O   -0.012551   0.001905   0.007203  -0.051654   0.096083  -0.110384
    10  O   -0.010068  -0.062623  -0.000463   0.015902  -0.020464  -0.001093
    11  H    0.043724  -0.022521   0.005873   0.350283   0.036310  -0.076335
    12  H    0.008898  -0.000777  -0.011503   0.066935   0.345991  -0.051495
    13  H    0.066940  -0.056871  -0.013937  -0.021292  -0.011846   0.085867
    14  H    0.141506  -0.036106   0.169355  -0.032101   0.012253   0.000535
    15  H   -0.025296   0.004153   0.004650   0.056082  -0.000829   0.006145
    16  H   -0.002687   0.001280  -0.000330   0.015032   0.067693  -0.033181
               7          8          9         10         11         12
     1  C    0.000799   0.101943  -0.012551  -0.010068   0.043724   0.008898
     2  O   -0.000379  -0.013990   0.001905  -0.062623  -0.022521  -0.000777
     3  O    0.000449  -0.054931   0.007203  -0.000463   0.005873  -0.011503
     4  C   -0.004280  -0.079879  -0.051654   0.015902   0.350283   0.066935
     5  C    0.060393  -0.068265   0.096083  -0.020464   0.036310   0.345991
     6  C    0.160473   0.012223  -0.110384  -0.001093  -0.076335  -0.051495
     7  O    8.348733   0.003855  -0.041797  -0.010925   0.005348   0.015597
     8  O    0.003855   8.295158  -0.006693  -0.002851  -0.113182  -0.010170
     9  O   -0.041797  -0.006693   8.374422  -0.004386  -0.014300  -0.113522
    10  O   -0.010925  -0.002851  -0.004386   8.242933   0.022461  -0.006626
    11  H    0.005348  -0.113182  -0.014300   0.022461   0.785513   0.030002
    12  H    0.015597  -0.010170  -0.113522  -0.006626   0.030002   0.789501
    13  H   -0.007555   0.001329  -0.002670   0.240017   0.003410   0.004618
    14  H   -0.000185   0.028123  -0.003065   0.000355   0.009664   0.003622
    15  H   -0.000002   0.278022   0.006632  -0.000368   0.017659   0.011407
    16  H    0.052516  -0.007821   0.238672  -0.000315  -0.001963   0.014085
              13         14         15         16
     1  C    0.066940   0.141506  -0.025296  -0.002687
     2  O   -0.056871  -0.036106   0.004153   0.001280
     3  O   -0.013937   0.169355   0.004650  -0.000330
     4  C   -0.021292  -0.032101   0.056082   0.015032
     5  C   -0.011846   0.012253  -0.000829   0.067693
     6  C    0.085867   0.000535   0.006145  -0.033181
     7  O   -0.007555  -0.000185  -0.000002   0.052516
     8  O    0.001329   0.028123   0.278022  -0.007821
     9  O   -0.002670  -0.003065   0.006632   0.238672
    10  O    0.240017   0.000355  -0.000368  -0.000315
    11  H    0.003410   0.009664   0.017659  -0.001963
    12  H    0.004618   0.003622   0.011407   0.014085
    13  H    0.500980   0.002243  -0.000236   0.001304
    14  H    0.002243   0.519679   0.001241   0.000103
    15  H   -0.000236   0.001241   0.484097  -0.000480
    16  H    0.001304   0.000103  -0.000480   0.425990
 Mulliken charges:
               1
     1  C    0.692524
     2  O   -0.523464
     3  O   -0.340422
     4  C    0.272630
     5  C    0.171985
     6  C    0.838846
     7  O   -0.583037
     8  O   -0.362872
     9  O   -0.363895
    10  O   -0.401484
    11  H   -0.081947
    12  H   -0.096564
    13  H    0.207699
    14  H    0.182779
    15  H    0.157122
    16  H    0.230101
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.692524
     2  O   -0.523464
     3  O   -0.157643
     4  C    0.190683
     5  C    0.075421
     6  C    0.838846
     7  O   -0.583037
     8  O   -0.205750
     9  O   -0.133794
    10  O   -0.193785
 Electronic spatial extent (au):  <R**2>=           1426.3886
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.0374    Y=              2.6381    Z=             -0.0273  Tot=              3.3334
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -68.2403   YY=            -61.5997   ZZ=            -55.7966
   XY=              1.1921   XZ=             -2.0484   YZ=             -0.5889
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.3614   YY=              0.2792   ZZ=              6.0822
   XY=              1.1921   XZ=             -2.0484   YZ=             -0.5889
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             29.0474  YYY=             16.6160  ZZZ=             -0.0533  XYY=             -1.7476
  XXY=             22.3620  XXZ=              3.1410  XZZ=              0.5760  YZZ=             -2.0477
  YYZ=             -2.1061  XYZ=              6.2246
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1131.0399 YYYY=           -531.5900 ZZZZ=            -95.6682 XXXY=             10.3006
 XXXZ=            -19.4179 YYYX=              2.1381 YYYZ=             -6.2933 ZZZX=              1.1469
 ZZZY=             -0.4943 XXYY=           -270.0183 XXZZ=           -192.7338 YYZZ=           -114.0974
 XXYZ=              3.1700 YYXZ=              4.2216 ZZXY=             -0.0070
 N-N= 5.825574732800D+02 E-N=-2.588176022122D+03  KE= 6.014871619586D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 18:19:35 2021, MaxMem= 10737418240 cpu:               5.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.93647824D-01 1.05583078D+00-1.16623924D-02
 Polarizability= 8.08764244D+01 1.14712420D-02 7.21132048D+01
                 2.28734473D+00-4.23094189D-01 4.78161568D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.1773   -1.1757       -0.0105   -0.0113
 2      1.1773    1.1757        0.2483    0.2484       -4.2126   -4.2137
 3      0.0105    0.0113       16.0907   16.0895       -0.2480   -0.2484
 4     -0.2483   -0.2484        0.0000    0.0000        0.0104    0.0113
 5    -11.8781  -11.8759       -0.0104   -0.0113       -1.1764   -1.1757
 6      0.2480    0.2484        1.1764    1.1757       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.5272    3.5272       -0.0338   -0.0338
 2     -0.7451   -0.7451        0.0000    0.0000       -0.0338   -0.0338
 3     -0.7451   -0.7451        3.5272    3.5272       -0.0000    0.0000
 4      3.5272    3.5272        0.7451    0.7451      -12.6410  -12.6410
 5      0.0338    0.0338       48.2686   48.2686       -0.7451   -0.7451
 6    -35.6276  -35.6276       -0.0338   -0.0338       -3.5272   -3.5272
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1345    0.0000        4.4232    4.7029       -0.5948    0.0451
 2     -4.8412   -4.7029       -0.9891   -0.9935       17.2130   16.8546
 3      0.1251   -0.0451      -64.1701  -64.3581        0.7705    0.9935
 4      1.1567    0.9935       -0.0628    0.0000       -0.3949   -0.0451
 5     47.4863   47.5035        0.0860    0.0451        4.8937    4.7029
 6     -0.9817   -0.9935       -4.7909   -4.7029       -0.0492    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0690    0.0000      -18.6976  -18.6992        2.4022    2.4444
 2     18.7461   18.6992       -4.8152   -4.7152       17.3942   17.1677
 3     -2.4224   -2.4444       -5.9646   -5.7352        4.9064    4.7152
 4      4.5911    4.7152       -0.0406    0.0000       -2.3628   -2.4444
 5    -11.6195  -11.4325        2.5835    2.4444      -18.1307  -18.6992
 6     -4.8138   -4.7152       18.9896   18.6992       -0.1271    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.0376   -1.0374      -10.0074  -10.2401       -4.9019   -4.9586
 2      0.9301    0.9212      -31.1053  -31.0843       -4.7528   -4.9586
 3      0.9941    0.9212      -10.1211  -10.2401       -7.9556   -8.1929
 4     20.7482   20.8443       -1.6494   -1.9586       10.7180   11.0896
 5     -3.4172   -3.2343       -2.7839   -2.3684        1.6139    1.9586
 6     -8.9061   -8.7212        3.6502    3.2343      -20.0791  -20.8443
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.8870   -3.1437   -0.0005    0.0006    0.0007    1.1840
 Low frequencies ---   72.1256   87.7194  114.5635
 Diagonal vibrational polarizability:
       43.8185514      27.4081734      31.0639178
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     72.1253                87.7193               114.5634
 Red. masses --      9.0905                 9.3887                11.3872
 Frc consts  --      0.0279                 0.0426                 0.0881
 IR Inten    --      0.2035                 2.2821                 2.7739
 RamAct Fr= 1--      0.4075                 0.1189                 0.7550
  Dep-P Fr= 1--      0.7499                 0.5245                 0.7494
  Dep-U Fr= 1--      0.8571                 0.6881                 0.8568
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0000
 Beta2  Fr= 1--      0.0582                 0.0136                 0.1078
 AlphaG Fr= 1--     -0.0000                -0.0004                 0.0006
 Gamma2 Fr= 1--     -0.0303                 0.0881                 0.2637
 Delta2 Fr= 1--     -0.0234                 0.0843                 0.1884
 Raman1 Fr= 1--       1.630                  0.476                  3.020
 ROA1   Fr= 1--      -3.657                 11.158                 31.346
 CID1   Fr= 1--      -2.243                 23.462                 10.380
 Raman2 Fr= 1--       0.699                  0.164                  1.294
 ROA2   Fr= 1--      -0.540                  1.441                  4.822
 CID2   Fr= 1--      -0.774                  8.806                  3.727
 Raman3 Fr= 1--       1.397                  0.327                  2.587
 ROA3   Fr= 1--      -3.657                 11.158                 31.346
 CID3   Fr= 1--      -2.618                 34.099                 12.115
 RC180  Fr= 1--       0.714                  0.376                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01    -0.01  -0.01  -0.07    -0.02  -0.00  -0.11
     2   8     0.04  -0.06  -0.29    -0.04  -0.02  -0.24     0.05  -0.05  -0.37
     3   8    -0.12   0.08   0.47     0.03  -0.12  -0.07    -0.09   0.07   0.18
     4   6     0.02  -0.03  -0.11     0.05   0.11   0.08    -0.03   0.01  -0.05
     5   6     0.05   0.02  -0.07    -0.04   0.11  -0.09     0.03  -0.02   0.06
     6   6    -0.00   0.00   0.06     0.00  -0.04   0.06     0.03   0.00   0.03
     7   8    -0.07  -0.02   0.34    -0.05  -0.13   0.11     0.16   0.08  -0.40
     8   8     0.02  -0.03  -0.18     0.15   0.06   0.39    -0.05   0.02  -0.07
     9   8     0.06   0.02  -0.11    -0.13   0.08  -0.39     0.03  -0.02   0.17
    10   8     0.02   0.03  -0.13     0.03  -0.04   0.22    -0.10  -0.08   0.50
    11   1     0.01  -0.09  -0.09     0.13   0.33   0.00    -0.10   0.02  -0.03
    12   1     0.09   0.06  -0.07    -0.12   0.31  -0.01     0.10  -0.05   0.02
    13   1     0.04   0.01  -0.29     0.07   0.02   0.05    -0.08  -0.09   0.33
    14   1    -0.17   0.09   0.51     0.09  -0.10   0.10    -0.15   0.09   0.27
    15   1     0.03  -0.02  -0.18     0.13   0.13   0.09    -0.05  -0.02   0.09
    16   1    -0.00   0.00   0.10    -0.16  -0.08  -0.28     0.13   0.04  -0.14
                      4                      5                      6
                      A                      A                      A
 Frequencies --    228.1123               238.8674               323.7049
 Red. masses --      8.6268                 7.1660                 5.2360
 Frc consts  --      0.2645                 0.2409                 0.3233
 IR Inten    --     21.3141                15.7689                19.5821
 RamAct Fr= 1--      0.1727                 0.7204                 0.4418
  Dep-P Fr= 1--      0.2894                 0.7494                 0.0781
  Dep-U Fr= 1--      0.4489                 0.8568                 0.1449
 Alpha2 Fr= 1--      0.0018                 0.0000                 0.0082
 Beta2  Fr= 1--      0.0129                 0.1029                 0.0107
 AlphaG Fr= 1--     -0.0007                 0.0003                -0.0051
 Gamma2 Fr= 1--      0.0264                -0.2363                 0.0524
 Delta2 Fr= 1--      0.0458                -0.1117                 0.0231
 Raman1 Fr= 1--       0.691                  2.881                  1.767
 ROA1   Fr= 1--       4.002                -26.258                  5.772
 CID1   Fr= 1--       5.793                 -9.113                  3.267
 Raman2 Fr= 1--       0.155                  1.234                  0.128
 ROA2   Fr= 1--       0.267                 -4.776                  1.074
 CID2   Fr= 1--       1.725                 -3.870                  8.385
 Raman3 Fr= 1--       0.310                  2.469                  0.256
 ROA3   Fr= 1--       4.002                -26.258                  5.772
 CID3   Fr= 1--      12.904                -10.636                 22.540
 RC180  Fr= 1--      -0.102                  0.714                 -0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.20  -0.03  -0.02     0.05  -0.11   0.07     0.10   0.04   0.08
     2   8    -0.26  -0.02  -0.02     0.29  -0.21  -0.11    -0.02   0.06  -0.10
     3   8    -0.18  -0.17   0.02     0.02   0.09  -0.08     0.22  -0.22   0.06
     4   6    -0.10   0.08   0.02    -0.12  -0.16   0.22     0.07   0.05   0.14
     5   6     0.00   0.16   0.13    -0.13   0.09   0.19    -0.01   0.02   0.12
     6   6     0.19  -0.01   0.06    -0.04   0.11   0.07     0.02  -0.01   0.05
     7   8     0.16  -0.15  -0.06    -0.03   0.04  -0.08     0.06   0.09   0.01
     8   8     0.05  -0.00  -0.14    -0.12  -0.17   0.01    -0.09   0.12  -0.17
     9   8    -0.12   0.10   0.10    -0.05   0.14  -0.09    -0.21  -0.07  -0.04
    10   8     0.40   0.08  -0.04     0.11   0.16  -0.07    -0.09  -0.02  -0.04
    11   1    -0.24   0.07   0.06    -0.20  -0.27   0.26     0.03  -0.16   0.20
    12   1     0.08   0.24   0.13    -0.25   0.22   0.26    -0.07   0.10   0.16
    13   1     0.44   0.16   0.00     0.09   0.13   0.01    -0.09  -0.05  -0.06
    14   1    -0.05  -0.18  -0.01    -0.18   0.10  -0.02     0.48  -0.23   0.08
    15   1     0.17   0.10  -0.10    -0.12  -0.13  -0.16    -0.19   0.08  -0.34
    16   1    -0.08  -0.00  -0.01    -0.02   0.14  -0.18    -0.18  -0.31  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    333.7030               363.7008               417.4328
 Red. masses --      7.6208                 5.0553                 5.1811
 Frc consts  --      0.5000                 0.3940                 0.5319
 IR Inten    --     19.6766                 4.1529                12.1503
 RamAct Fr= 1--      2.9690                 0.2193                 0.8021
  Dep-P Fr= 1--      0.1963                 0.6077                 0.6523
  Dep-U Fr= 1--      0.3282                 0.7560                 0.7896
 Alpha2 Fr= 1--      0.0407                 0.0006                 0.0014
 Beta2  Fr= 1--      0.1624                 0.0276                 0.1056
 AlphaG Fr= 1--      0.0131                 0.0030                -0.0066
 Gamma2 Fr= 1--      0.0251                -0.0180                 0.2510
 Delta2 Fr= 1--      0.1746                -0.0222                 0.0985
 Raman1 Fr= 1--      11.876                  0.877                  3.208
 ROA1   Fr= 1--       7.995                 -2.436                 27.244
 CID1   Fr= 1--       0.673                 -2.777                  8.492
 Raman2 Fr= 1--       1.949                  0.332                  1.267
 ROA2   Fr= 1--      -0.795                 -0.254                  5.235
 CID2   Fr= 1--      -0.408                 -0.765                  4.133
 Raman3 Fr= 1--       3.898                  0.663                  2.533
 ROA3   Fr= 1--       7.995                 -2.436                 27.244
 CID3   Fr= 1--       2.051                 -3.674                 10.755
 RC180  Fr= 1--      -0.344                  0.512                  0.579
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01  -0.04    -0.02   0.01  -0.01    -0.03   0.11   0.06
     2   8    -0.09  -0.00   0.04     0.05  -0.01   0.01    -0.12   0.12  -0.09
     3   8    -0.15   0.10  -0.03    -0.07   0.15  -0.03     0.00   0.07  -0.03
     4   6    -0.07  -0.04   0.01    -0.01   0.02   0.02    -0.02   0.02   0.22
     5   6     0.15  -0.08   0.12     0.00   0.04   0.06    -0.01  -0.03   0.20
     6   6     0.19  -0.05   0.12     0.02  -0.02   0.03    -0.05  -0.10   0.04
     7   8     0.32   0.26   0.06     0.06   0.08   0.01    -0.02  -0.14  -0.07
     8   8    -0.20   0.01   0.13     0.34  -0.12  -0.05     0.09  -0.03  -0.05
     9   8     0.06  -0.13  -0.24    -0.26  -0.08   0.04     0.25   0.09  -0.08
    10   8    -0.04  -0.08  -0.10    -0.12  -0.05  -0.04    -0.10  -0.13  -0.07
    11   1    -0.17   0.03   0.02    -0.08   0.10   0.03    -0.16  -0.06   0.27
    12   1     0.22   0.14   0.15     0.03   0.07   0.06    -0.16   0.02   0.26
    13   1    -0.06  -0.21  -0.05    -0.14  -0.13  -0.01    -0.10  -0.14  -0.08
    14   1    -0.25   0.10  -0.05    -0.21   0.16  -0.07    -0.00   0.07  -0.02
    15   1    -0.35  -0.10  -0.00     0.57   0.15  -0.26     0.11   0.13  -0.55
    16   1     0.04  -0.36  -0.15    -0.25  -0.34   0.06     0.15   0.25   0.20
                     10                     11                     12
                      A                      A                      A
 Frequencies --    473.7899               517.7383               537.6214
 Red. masses --      1.3752                 3.3865                 1.9009
 Frc consts  --      0.1819                 0.5348                 0.3237
 IR Inten    --     28.1515                11.8291                80.1549
 RamAct Fr= 1--      1.0104                 4.1696                 1.2192
  Dep-P Fr= 1--      0.4966                 0.4325                 0.0915
  Dep-U Fr= 1--      0.6637                 0.6038                 0.1676
 Alpha2 Fr= 1--      0.0051                 0.0274                 0.0218
 Beta2  Fr= 1--      0.1118                 0.4196                 0.0341
 AlphaG Fr= 1--      0.0128                 0.0185                 0.0399
 Gamma2 Fr= 1--      0.3302                -1.9187                 0.0552
 Delta2 Fr= 1--      0.0580                -1.1294                -0.0122
 Raman1 Fr= 1--       4.041                 16.678                  4.877
 ROA1   Fr= 1--      33.553               -220.333                  4.912
 CID1   Fr= 1--       8.302                -13.211                  1.007
 Raman2 Fr= 1--       1.341                  5.036                  0.409
 ROA2   Fr= 1--       7.460                -37.014                  1.424
 CID2   Fr= 1--       5.563                 -7.350                  3.484
 Raman3 Fr= 1--       2.682                 10.071                  0.817
 ROA3   Fr= 1--      33.553               -220.333                  4.912
 CID3   Fr= 1--      12.510                -21.878                  6.010
 RC180  Fr= 1--       0.327                  0.208                 -0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.03    -0.05  -0.09   0.01    -0.03  -0.01   0.10
     2   8     0.01  -0.04   0.00     0.14  -0.14   0.06    -0.02  -0.04  -0.03
     3   8    -0.01   0.01  -0.02    -0.06  -0.06  -0.00    -0.03   0.02  -0.04
     4   6     0.02   0.02   0.04    -0.02   0.09  -0.03     0.02   0.02   0.11
     5   6     0.00   0.03   0.01     0.02   0.11  -0.05    -0.01  -0.04  -0.03
     6   6     0.01  -0.03   0.02     0.07  -0.03  -0.04     0.02   0.02  -0.11
     7   8     0.02  -0.02   0.02     0.07  -0.05   0.01    -0.01   0.04   0.02
     8   8     0.01   0.06  -0.07    -0.03   0.13   0.01     0.01   0.05  -0.07
     9   8    -0.00   0.05   0.00    -0.00   0.16   0.04     0.03  -0.06  -0.06
    10   8    -0.05  -0.05  -0.03    -0.11  -0.12  -0.03     0.04   0.02   0.06
    11   1     0.02   0.02   0.04     0.01   0.13  -0.05     0.09  -0.05   0.11
    12   1    -0.03   0.10   0.03     0.06   0.11  -0.06    -0.16  -0.19  -0.01
    13   1    -0.06  -0.10  -0.03    -0.15  -0.27  -0.01     0.07   0.07  -0.02
    14   1    -0.09   0.01  -0.01    -0.01  -0.06   0.00    -0.14   0.04   0.02
    15   1     0.15  -0.06   0.81    -0.16   0.15  -0.49     0.11   0.01   0.39
    16   1     0.15   0.13  -0.46    -0.19   0.10   0.60    -0.25  -0.15   0.75
                     13                     14                     15
                      A                      A                      A
 Frequencies --    589.8038               610.7104               671.8309
 Red. masses --      2.6964                 3.1956                 4.2171
 Frc consts  --      0.5526                 0.7022                 1.1215
 IR Inten    --     46.7171                21.8890                26.7278
 RamAct Fr= 1--      1.5792                 1.6898                 0.5114
  Dep-P Fr= 1--      0.2401                 0.6166                 0.7347
  Dep-U Fr= 1--      0.3872                 0.7629                 0.8471
 Alpha2 Fr= 1--      0.0192                 0.0041                 0.0001
 Beta2  Fr= 1--      0.1019                 0.2148                 0.0722
 AlphaG Fr= 1--     -0.0549                 0.0085                -0.0002
 Gamma2 Fr= 1--      1.1440                 1.0332                -0.6162
 Delta2 Fr= 1--      0.0939                 1.0018                -0.4619
 Raman1 Fr= 1--       6.317                  6.759                  2.045
 ROA1   Fr= 1--     112.833                131.243                -73.940
 CID1   Fr= 1--      17.863                 19.417                -36.148
 Raman2 Fr= 1--       1.223                  2.578                  0.866
 ROA2   Fr= 1--      26.705                 16.782                -11.094
 CID2   Fr= 1--      21.837                  6.510                -12.806
 Raman3 Fr= 1--       2.446                  5.156                  1.733
 ROA3   Fr= 1--     112.833                131.243                -73.940
 CID3   Fr= 1--      46.132                 25.453                -42.675
 RC180  Fr= 1--      -0.226                  0.526                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01   0.17    -0.05  -0.07   0.00    -0.08   0.11  -0.07
     2   8    -0.07  -0.02  -0.07     0.04  -0.12   0.03     0.17   0.06   0.03
     3   8    -0.00   0.06  -0.07    -0.11   0.01  -0.03    -0.06  -0.12   0.04
     4   6     0.06  -0.05   0.08     0.07   0.08   0.06    -0.17   0.09   0.05
     5   6    -0.02   0.02  -0.14     0.05  -0.07   0.06    -0.16  -0.08  -0.01
     6   6     0.08  -0.00  -0.14    -0.06   0.03   0.02    -0.03  -0.08  -0.14
     7   8     0.05   0.04   0.09    -0.09  -0.02  -0.02     0.01   0.18   0.08
     8   8    -0.02  -0.04   0.02     0.06   0.20  -0.03     0.04  -0.02  -0.02
     9   8    -0.03   0.04   0.09     0.05  -0.15  -0.01     0.05  -0.01  -0.01
    10   8     0.02  -0.05   0.04     0.02   0.09   0.01     0.10  -0.12   0.04
    11   1     0.29  -0.23   0.05     0.03   0.15   0.06    -0.31   0.19   0.06
    12   1    -0.15  -0.07  -0.13     0.01  -0.10   0.07    -0.36  -0.22   0.02
    13   1     0.04  -0.04  -0.10     0.01   0.10   0.08     0.16   0.05  -0.02
    14   1    -0.14   0.08   0.07    -0.14   0.00  -0.03     0.34  -0.18  -0.20
    15   1    -0.17  -0.03  -0.48    -0.13   0.17  -0.54     0.20   0.13  -0.04
    16   1     0.18   0.16  -0.56     0.25  -0.09  -0.60     0.14   0.22  -0.30
                     16                     17                     18
                      A                      A                      A
 Frequencies --    736.8360               753.8405               757.8937
 Red. masses --      1.2721                 3.9115                 6.0088
 Frc consts  --      0.4069                 1.3096                 2.0335
 IR Inten    --     89.1039                 1.5708                15.9919
 RamAct Fr= 1--      0.8452                 0.0327                 7.3207
  Dep-P Fr= 1--      0.2408                 0.6506                 0.0585
  Dep-U Fr= 1--      0.3881                 0.7883                 0.1105
 Alpha2 Fr= 1--      0.0103                 0.0001                 0.1417
 Beta2  Fr= 1--      0.0547                 0.0043                 0.1348
 AlphaG Fr= 1--      0.0497                -0.0019                -0.0461
 Gamma2 Fr= 1--      0.0602                 0.0572                 0.4493
 Delta2 Fr= 1--      0.1743                 0.0138                -0.1122
 Raman1 Fr= 1--       3.381                  0.131                 29.283
 ROA1   Fr= 1--      11.354                  5.935                 39.542
 CID1   Fr= 1--       3.358                 45.430                  1.350
 Raman2 Fr= 1--       0.656                  0.051                  1.618
 ROA2   Fr= 1--       0.050                  1.262                 11.681
 CID2   Fr= 1--       0.076                 24.515                  7.221
 Raman3 Fr= 1--       1.312                  0.103                  3.235
 ROA3   Fr= 1--      11.354                  5.935                 39.542
 CID3   Fr= 1--       8.653                 57.629                 12.223
 RC180  Fr= 1--      -0.224                  0.577                 -0.779
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.11   0.10   0.28     0.18  -0.19  -0.15
     2   8     0.01   0.01   0.02     0.07   0.00  -0.09    -0.19  -0.11   0.02
     3   8     0.02  -0.03  -0.06    -0.05  -0.03  -0.03     0.10   0.14   0.07
     4   6    -0.01   0.00  -0.03     0.01   0.00  -0.09     0.11  -0.04   0.00
     5   6    -0.03  -0.01  -0.01    -0.01  -0.01  -0.11    -0.12  -0.03   0.02
     6   6    -0.05  -0.04   0.06    -0.13  -0.09   0.26    -0.16  -0.16   0.06
     7   8    -0.01   0.05  -0.01    -0.01   0.08  -0.07    -0.04   0.19  -0.01
     8   8     0.01   0.01  -0.01     0.02   0.01   0.02     0.02   0.11  -0.00
     9   8     0.01   0.01  -0.00     0.02  -0.02   0.01    -0.04   0.11   0.01
    10   8     0.04  -0.03  -0.01     0.06  -0.04  -0.06     0.16  -0.17  -0.01
    11   1     0.04  -0.00  -0.04     0.36  -0.17  -0.16     0.06   0.08  -0.01
    12   1     0.03   0.02  -0.02     0.33   0.16  -0.16    -0.15   0.06   0.05
    13   1     0.05   0.03   0.02     0.05   0.05   0.16     0.23   0.16   0.04
    14   1    -0.24   0.13   0.95     0.22  -0.12  -0.53    -0.18   0.07  -0.61
    15   1    -0.00   0.00  -0.03     0.04   0.02   0.04    -0.13   0.00  -0.13
    16   1    -0.01   0.04   0.03    -0.03   0.03   0.16    -0.09   0.17   0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    894.4386               905.1655               936.4318
 Red. masses --      1.4505                 2.3246                 4.1013
 Frc consts  --      0.6837                 1.1221                 2.1190
 IR Inten    --     64.7487                30.8030                 0.6842
 RamAct Fr= 1--      0.9454                 0.3539                 2.9680
  Dep-P Fr= 1--      0.6014                 0.3588                 0.1913
  Dep-U Fr= 1--      0.7511                 0.5281                 0.3212
 Alpha2 Fr= 1--      0.0026                 0.0030                 0.0412
 Beta2  Fr= 1--      0.1183                 0.0311                 0.1589
 AlphaG Fr= 1--     -0.0179                -0.0080                 0.0361
 Gamma2 Fr= 1--      0.7782                 0.5414                -0.7187
 Delta2 Fr= 1--      0.4917                 0.3442                -0.1073
 Raman1 Fr= 1--       3.781                  1.415                 11.872
 ROA1   Fr= 1--      90.443                 62.988                -72.429
 CID1   Fr= 1--      23.918                 44.501                 -6.101
 Raman2 Fr= 1--       1.420                  0.374                  1.906
 ROA2   Fr= 1--      14.744                 10.240                -16.391
 CID2   Fr= 1--      10.383                 27.397                 -8.598
 Raman3 Fr= 1--       2.840                  0.748                  3.813
 ROA3   Fr= 1--      90.443                 62.988                -72.429
 CID3   Fr= 1--      31.844                 84.265                -18.996
 RC180  Fr= 1--       0.502                  0.056                 -0.358
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.02   0.05  -0.08    -0.01  -0.04   0.16
     2   8    -0.03  -0.02  -0.02     0.04   0.06  -0.01    -0.05  -0.08  -0.03
     3   8     0.05   0.02   0.01    -0.11  -0.04  -0.01     0.15   0.04   0.00
     4   6    -0.07   0.02   0.01     0.15  -0.06   0.06    -0.21   0.11  -0.10
     5   6    -0.09  -0.04  -0.06     0.12   0.05   0.05     0.22   0.11   0.09
     6   6     0.04   0.02   0.03    -0.05  -0.02  -0.09    -0.05  -0.02  -0.17
     7   8     0.05  -0.02   0.02    -0.08   0.04   0.01    -0.12   0.04   0.01
     8   8     0.01   0.02  -0.01    -0.02  -0.03   0.00    -0.04  -0.04   0.02
     9   8     0.02  -0.02  -0.00    -0.03   0.05   0.01     0.02  -0.03  -0.01
    10   8    -0.01   0.04  -0.04     0.04  -0.06  -0.03     0.05  -0.08   0.01
    11   1    -0.06   0.05  -0.00     0.15  -0.18   0.09    -0.39   0.21  -0.06
    12   1    -0.13  -0.09  -0.06     0.09   0.12   0.07     0.42   0.19   0.05
    13   1    -0.21  -0.16   0.91    -0.09  -0.04   0.83     0.03   0.05   0.31
    14   1    -0.02   0.02   0.01     0.05  -0.04   0.05    -0.07   0.06   0.01
    15   1     0.09   0.09  -0.03    -0.17  -0.19   0.07     0.21   0.21  -0.01
    16   1     0.01   0.14  -0.00    -0.03  -0.17   0.03     0.09  -0.32  -0.14
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1020.2756              1127.1730              1137.4767
 Red. masses --      5.9687                 5.4793                 5.5608
 Frc consts  --      3.6607                 4.1016                 4.2391
 IR Inten    --     17.3205               176.5827                33.6898
 RamAct Fr= 1--      6.3335                 1.3551                 1.4001
  Dep-P Fr= 1--      0.2100                 0.7479                 0.7460
  Dep-U Fr= 1--      0.3471                 0.8558                 0.8545
 Alpha2 Fr= 1--      0.0837                 0.0000                 0.0001
 Beta2  Fr= 1--      0.3664                 0.1933                 0.1994
 AlphaG Fr= 1--      0.0406                 0.0031                 0.0029
 Gamma2 Fr= 1--     -0.7835                 0.4625                -0.0904
 Delta2 Fr= 1--      0.4021                 0.3243                -0.4452
 Raman1 Fr= 1--      25.334                  5.420                  5.600
 ROA1   Fr= 1--     -62.352                 54.783                -22.925
 CID1   Fr= 1--      -2.461                 10.107                 -4.093
 Raman2 Fr= 1--       4.397                  2.319                  2.393
 ROA2   Fr= 1--     -22.021                  8.506                  1.392
 CID2   Fr= 1--      -5.008                  3.668                  0.582
 Raman3 Fr= 1--       8.794                  4.639                  4.786
 ROA3   Fr= 1--     -62.352                 54.783                -22.925
 CID3   Fr= 1--      -7.090                 11.810                 -4.790
 RC180  Fr= 1--      -0.306                  0.712                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.04  -0.17    -0.04  -0.01  -0.05    -0.05  -0.01   0.04
     2   8    -0.00   0.01   0.04    -0.01  -0.03   0.01    -0.00  -0.07   0.01
     3   8    -0.01   0.00   0.03     0.01   0.02   0.00     0.01   0.03  -0.01
     4   6    -0.10   0.11   0.38     0.16   0.13  -0.03     0.26   0.41  -0.04
     5   6     0.19   0.10  -0.37    -0.22   0.38   0.05     0.02  -0.18   0.05
     6   6    -0.07  -0.04   0.16     0.02   0.05  -0.02    -0.01  -0.03   0.05
     7   8    -0.02   0.01  -0.05    -0.01   0.01   0.00     0.01  -0.00  -0.00
     8   8    -0.09  -0.09  -0.04    -0.06  -0.10  -0.00    -0.12  -0.24  -0.04
     9   8     0.02  -0.05   0.04     0.11  -0.29   0.01    -0.04   0.10  -0.02
    10   8     0.01  -0.00  -0.02     0.01  -0.08  -0.01    -0.00   0.03  -0.00
    11   1    -0.09   0.10   0.37     0.26   0.02  -0.05     0.07   0.59  -0.05
    12   1     0.22   0.11  -0.37    -0.06   0.59   0.08    -0.26  -0.41   0.07
    13   1     0.05   0.07  -0.15     0.00  -0.07  -0.01    -0.01   0.04   0.05
    14   1    -0.04   0.00   0.01     0.07   0.01   0.03     0.07   0.03   0.05
    15   1     0.29   0.26  -0.05    -0.03  -0.08  -0.00     0.03  -0.09  -0.02
    16   1     0.04  -0.14  -0.00     0.01   0.40   0.14    -0.02  -0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1222.1990              1241.4673              1264.9717
 Red. masses --      1.4129                 1.6103                 1.4161
 Frc consts  --      1.2435                 1.4623                 1.3351
 IR Inten    --     68.1414                10.2251                 5.3623
 RamAct Fr= 1--      4.9692                 3.1602                 5.5944
  Dep-P Fr= 1--      0.5011                 0.4972                 0.1575
  Dep-U Fr= 1--      0.6676                 0.6642                 0.2722
 Alpha2 Fr= 1--      0.0244                 0.0158                 0.0848
 Beta2  Fr= 1--      0.5529                 0.3498                 0.2538
 AlphaG Fr= 1--      0.0065                 0.0080                -0.0190
 Gamma2 Fr= 1--      0.9815                -0.8453                 0.8092
 Delta2 Fr= 1--      0.4891                -0.5434                 0.3232
 Raman1 Fr= 1--      19.877                 12.641                 22.378
 ROA1   Fr= 1--     109.876                -98.534                 88.024
 CID1   Fr= 1--       5.528                 -7.795                  3.934
 Raman2 Fr= 1--       6.635                  4.198                  3.045
 ROA2   Fr= 1--      19.643                -15.939                 16.834
 CID2   Fr= 1--       2.960                 -3.797                  5.528
 Raman3 Fr= 1--      13.270                  8.396                  6.090
 ROA3   Fr= 1--     109.876                -98.534                 88.024
 CID3   Fr= 1--       8.280                -11.736                 14.453
 RC180  Fr= 1--       0.335                  0.328                 -0.456
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02  -0.00    -0.08   0.02  -0.04    -0.10   0.01  -0.08
     2   8     0.01   0.04  -0.00    -0.01  -0.05   0.01    -0.02  -0.06   0.02
     3   8    -0.05  -0.05   0.00     0.04   0.04   0.01     0.04   0.05   0.01
     4   6    -0.03   0.04  -0.00    -0.02   0.01   0.05    -0.03   0.00   0.01
     5   6    -0.04  -0.04   0.06    -0.02  -0.10   0.01    -0.01   0.02   0.04
     6   6     0.00  -0.02  -0.04    -0.01  -0.09  -0.08     0.01   0.05   0.02
     7   8     0.01  -0.00   0.01     0.03  -0.00   0.02    -0.02   0.00  -0.01
     8   8    -0.05  -0.01   0.00     0.02  -0.00  -0.01    -0.01   0.01   0.01
     9   8     0.00   0.01  -0.01    -0.01   0.00   0.00     0.01   0.02  -0.01
    10   8    -0.01   0.02   0.00    -0.02   0.07   0.01     0.02  -0.03  -0.00
    11   1     0.52  -0.18  -0.12     0.19   0.00  -0.01     0.52  -0.39  -0.07
    12   1     0.28   0.10  -0.00     0.57   0.56  -0.01     0.02  -0.39  -0.07
    13   1    -0.00   0.08   0.02    -0.00   0.12  -0.00    -0.00  -0.14  -0.03
    14   1    -0.45  -0.03  -0.11     0.34   0.02   0.09     0.43   0.03   0.11
    15   1     0.40   0.42  -0.05    -0.12  -0.14   0.02     0.19   0.18   0.02
    16   1     0.01   0.05  -0.02    -0.04   0.32   0.05     0.04  -0.29  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1296.6459              1339.3920              1371.4172
 Red. masses --      2.5429                 1.1800                 1.1789
 Frc consts  --      2.5190                 1.2473                 1.3064
 IR Inten    --    120.8540               105.1891                72.3703
 RamAct Fr= 1--      5.3842                 2.4316                 4.4865
  Dep-P Fr= 1--      0.3489                 0.3970                 0.6256
  Dep-U Fr= 1--      0.5173                 0.5684                 0.7697
 Alpha2 Fr= 1--      0.0474                 0.0182                 0.0102
 Beta2  Fr= 1--      0.4643                 0.2303                 0.5755
 AlphaG Fr= 1--      0.0074                -0.0085                 0.0121
 Gamma2 Fr= 1--      0.0308                -1.8212                 0.1700
 Delta2 Fr= 1--      0.0427                -0.0913                -0.5678
 Raman1 Fr= 1--      21.537                  9.726                 17.946
 ROA1   Fr= 1--       4.322               -177.759                 -1.852
 CID1   Fr= 1--       0.201                -18.276                 -0.103
 Raman2 Fr= 1--       5.571                  2.764                  6.907
 ROA2   Fr= 1--       0.398                -42.979                  8.622
 CID2   Fr= 1--       0.071                -15.549                  1.248
 Raman3 Fr= 1--      11.142                  5.528                 13.813
 ROA3   Fr= 1--       4.322               -177.759                 -1.852
 CID3   Fr= 1--       0.388                -32.154                 -0.134
 RC180  Fr= 1--       0.035                  0.137                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00   0.01
     2   8    -0.01   0.02  -0.00     0.01   0.03  -0.00    -0.01  -0.00  -0.00
     3   8    -0.00  -0.00  -0.00     0.02  -0.01   0.01    -0.02   0.01  -0.01
     4   6     0.01   0.00   0.02    -0.04  -0.03   0.06    -0.00  -0.09   0.00
     5   6     0.03  -0.13   0.00    -0.05   0.03   0.02     0.04  -0.03  -0.01
     6   6     0.07   0.27   0.04     0.01   0.02   0.00     0.00   0.02   0.01
     7   8    -0.08   0.01  -0.02    -0.01   0.00  -0.00    -0.01   0.00  -0.00
     8   8    -0.00   0.00  -0.00     0.02  -0.01  -0.03    -0.04   0.00  -0.01
     9   8    -0.06  -0.02  -0.02     0.01   0.01  -0.01     0.00  -0.00   0.02
    10   8     0.06  -0.13  -0.00     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    11   1    -0.10   0.02   0.06     0.33   0.62  -0.19     0.26   0.54  -0.21
    12   1     0.37   0.08  -0.05     0.33  -0.26  -0.16    -0.40   0.37   0.22
    13   1    -0.03  -0.48  -0.07    -0.01  -0.11   0.00    -0.00  -0.02  -0.00
    14   1    -0.01  -0.00   0.00    -0.19  -0.01  -0.06     0.30   0.01   0.09
    15   1     0.06   0.06  -0.01    -0.26  -0.28  -0.01     0.25   0.26  -0.02
    16   1    -0.10   0.68   0.05     0.02  -0.21  -0.04     0.01  -0.05   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1385.3234              1409.8370              1430.0101
 Red. masses --      1.4176                 1.4493                 2.0953
 Frc consts  --      1.6029                 1.6972                 2.5245
 IR Inten    --    275.0836               122.6179               196.7509
 RamAct Fr= 1--      3.2361                 1.7910                 1.4966
  Dep-P Fr= 1--      0.4025                 0.3517                 0.5022
  Dep-U Fr= 1--      0.5740                 0.5204                 0.6686
 Alpha2 Fr= 1--      0.0238                 0.0156                 0.0073
 Beta2  Fr= 1--      0.3096                 0.1553                 0.1668
 AlphaG Fr= 1--     -0.0065                 0.0382                -0.0150
 Gamma2 Fr= 1--     -1.7800                 0.5665                -0.0709
 Delta2 Fr= 1--     -0.0772                 0.6904                 0.3339
 Raman1 Fr= 1--      12.944                  7.164                  5.986
 ROA1   Fr= 1--    -173.347                 76.475                  3.876
 CID1   Fr= 1--     -13.392                 10.675                  0.648
 Raman2 Fr= 1--       3.715                  1.864                  2.001
 ROA2   Fr= 1--     -42.102                  8.072                 -4.373
 CID2   Fr= 1--     -11.334                  4.330                 -2.185
 Raman3 Fr= 1--       7.429                  3.728                  4.003
 ROA3   Fr= 1--    -173.347                 76.475                  3.876
 CID3   Fr= 1--     -23.333                 20.512                  0.968
 RC180  Fr= 1--       0.148                  0.041                  0.337
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.00   0.04     0.08  -0.01   0.01     0.19  -0.03   0.03
     2   8    -0.02  -0.02  -0.00    -0.01  -0.01  -0.00    -0.03  -0.01  -0.00
     3   8    -0.08   0.02  -0.03    -0.04   0.01  -0.01    -0.10   0.01  -0.02
     4   6     0.07  -0.06   0.00    -0.09   0.03   0.00    -0.10   0.12  -0.01
     5   6    -0.07   0.03   0.01     0.10   0.04   0.03    -0.06  -0.05  -0.03
     6   6     0.00  -0.01  -0.01    -0.03   0.00   0.01     0.04   0.06   0.01
     7   8     0.01  -0.00   0.01     0.03  -0.01   0.00    -0.03   0.00  -0.01
     8   8    -0.03   0.00   0.00     0.02  -0.01  -0.01     0.05  -0.01  -0.00
     9   8     0.00   0.01  -0.01    -0.04  -0.03  -0.02     0.04   0.02   0.02
    10   8    -0.01  -0.00  -0.00    -0.02  -0.02  -0.01     0.01  -0.02  -0.00
    11   1    -0.38   0.19   0.08     0.30   0.01  -0.12     0.11  -0.23   0.00
    12   1     0.47  -0.29  -0.23    -0.17  -0.36   0.02    -0.05   0.39   0.08
    13   1     0.01   0.16   0.04     0.05   0.46   0.08    -0.01  -0.17  -0.00
    14   1     0.50   0.01   0.15     0.25  -0.00   0.06     0.40  -0.01   0.10
    15   1     0.25   0.26  -0.00    -0.16  -0.18   0.01    -0.31  -0.35   0.05
    16   1     0.01  -0.03  -0.04    -0.08   0.59   0.04     0.07  -0.50  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1472.0672              1785.3903              1820.1838
 Red. masses --      1.5115                 9.0202                 8.2062
 Frc consts  --      1.9298                16.9408                16.0186
 IR Inten    --    155.5918               320.8943               292.6858
 RamAct Fr= 1--      1.2506                24.0518                12.3584
  Dep-P Fr= 1--      0.3695                 0.0883                 0.4380
  Dep-U Fr= 1--      0.5396                 0.1623                 0.6092
 Alpha2 Fr= 1--      0.0103                 0.4333                 0.0795
 Beta2  Fr= 1--      0.1125                 0.6505                 1.2547
 AlphaG Fr= 1--      0.0080                -0.0383                 0.0692
 Gamma2 Fr= 1--     -0.3830                -0.6435                 0.1795
 Delta2 Fr= 1--      0.1143                 0.0321                -0.1285
 Raman1 Fr= 1--       5.002                 96.207                 49.434
 ROA1   Fr= 1--     -33.113                -60.747                 13.126
 CID1   Fr= 1--      -6.620                 -0.631                  0.266
 Raman2 Fr= 1--       1.350                  7.806                 15.057
 ROA2   Fr= 1--     -10.108                -15.700                  5.337
 CID2   Fr= 1--      -7.489                 -2.011                  0.354
 Raman3 Fr= 1--       2.699                 15.612                 30.113
 ROA3   Fr= 1--     -33.113                -60.747                 13.126
 CID3   Fr= 1--     -12.267                 -3.891                  0.436
 RC180  Fr= 1--       0.079                 -0.675                  0.218
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.01     0.16   0.59  -0.08    -0.10  -0.30   0.03
     2   8     0.01  -0.01   0.00    -0.08  -0.35   0.05     0.05   0.17  -0.02
     3   8     0.03  -0.00   0.01     0.00  -0.06   0.01     0.01   0.03  -0.00
     4   6     0.02  -0.00   0.01    -0.00  -0.05   0.01    -0.01   0.01  -0.00
     5   6    -0.05  -0.05  -0.02     0.00   0.00  -0.01    -0.02  -0.00  -0.00
     6   6     0.02   0.13   0.02     0.30  -0.09   0.07     0.52  -0.24   0.10
     7   8     0.03  -0.03   0.00    -0.18   0.06  -0.04    -0.32   0.11  -0.07
     8   8     0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.01  -0.00
     9   8     0.01   0.02   0.01    -0.01   0.00   0.00     0.00   0.01  -0.00
    10   8    -0.03  -0.10  -0.02    -0.04  -0.00  -0.01    -0.06   0.03  -0.01
    11   1    -0.04  -0.01   0.03    -0.01   0.10  -0.01     0.03  -0.05  -0.01
    12   1     0.05   0.18   0.00    -0.06  -0.02  -0.01    -0.03  -0.10   0.00
    13   1     0.12   0.89   0.12     0.14   0.19   0.09     0.04   0.54   0.07
    14   1    -0.13   0.00  -0.03    -0.47   0.02  -0.12     0.22  -0.00   0.06
    15   1    -0.00  -0.00   0.00    -0.02  -0.02  -0.01     0.02   0.03   0.00
    16   1     0.04  -0.29  -0.02    -0.04   0.15   0.01    -0.04   0.19  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3001.1265              3021.8027              3219.4006
 Red. masses --      1.0820                 1.0840                 1.0738
 Frc consts  --      5.7417                 5.8321                 6.5572
 IR Inten    --     13.2219                14.2386               844.9797
 RamAct Fr= 1--    119.2364                24.5566                80.0052
  Dep-P Fr= 1--      0.1532                 0.2116                 0.2165
  Dep-U Fr= 1--      0.2658                 0.3493                 0.3559
 Alpha2 Fr= 1--      1.8281                 0.3233                 1.0396
 Beta2  Fr= 1--      5.2814                 1.4295                 4.7459
 AlphaG Fr= 1--     -0.2651                -0.1083                 0.0119
 Gamma2 Fr= 1--     -3.7036                 2.7049                 0.1993
 Delta2 Fr= 1--     -4.7076                 6.0032                 1.4375
 Raman1 Fr= 1--     476.946                 98.226                320.021
 ROA1   Fr= 1--    -506.186                451.774                 65.130
 CID1   Fr= 1--      -1.061                  4.599                  0.204
 Raman2 Fr= 1--      63.377                 17.154                 56.950
 ROA2   Fr= 1--     -51.225                 16.892                 -6.717
 CID2   Fr= 1--      -0.808                  0.985                 -0.118
 Raman3 Fr= 1--     126.755                 34.308                113.901
 ROA3   Fr= 1--    -506.186                451.774                 65.130
 CID3   Fr= 1--      -3.993                 13.168                  0.572
 RC180  Fr= 1--      -0.468                 -0.301                 -0.288
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     2   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     3   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.02  -0.01  -0.07    -0.01  -0.01  -0.03     0.00   0.00  -0.00
     5   6     0.01  -0.01   0.03    -0.02   0.02  -0.07     0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     7   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.06   0.01  -0.01
    11   1     0.26   0.19   0.87     0.10   0.07   0.35    -0.00   0.00  -0.00
    12   1    -0.11   0.09  -0.35     0.26  -0.21   0.86    -0.00  -0.00  -0.00
    13   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.97  -0.19   0.16
    14   1     0.00   0.01  -0.00     0.00   0.00  -0.00     0.01   0.03  -0.00
    15   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01  -0.00
    16   1     0.01   0.00   0.00    -0.01  -0.00  -0.01    -0.02   0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3584.5675              3589.3900              3677.8414
 Red. masses --      1.0645                 1.0643                 1.0651
 Frc consts  --      8.0585                 8.0792                 8.4883
 IR Inten    --    178.1773               198.4792               109.3392
 RamAct Fr= 1--     71.7444                20.4661                30.9208
  Dep-P Fr= 1--      0.0620                 0.1464                 0.1154
  Dep-U Fr= 1--      0.1168                 0.2554                 0.2070
 Alpha2 Fr= 1--      1.3771                 0.3193                 0.5212
 Beta2  Fr= 1--      1.3966                 0.8711                 1.0665
 AlphaG Fr= 1--      0.0728                 0.0680                -0.0573
 Gamma2 Fr= 1--     -4.6052                 5.8143                -1.0684
 Delta2 Fr= 1--     -2.6747                 2.4766                -0.4076
 Raman1 Fr= 1--     286.978                 81.864                123.683
 ROA1   Fr= 1--    -527.690                637.426               -115.611
 CID1   Fr= 1--      -1.839                  7.786                 -0.935
 Raman2 Fr= 1--      16.760                 10.454                 12.799
 ROA2   Fr= 1--     -89.128                119.731                -22.381
 CID2   Fr= 1--      -5.318                 11.453                 -1.749
 Raman3 Fr= 1--      33.519                 20.907                 25.597
 ROA3   Fr= 1--    -527.690                637.426               -115.611
 CID3   Fr= 1--     -15.743                 30.488                 -4.517
 RC180  Fr= 1--      -0.766                 -0.489                 -0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   8     0.00   0.02  -0.00    -0.00  -0.06   0.01     0.00   0.01  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.04  -0.04  -0.01
     9   8    -0.05  -0.00  -0.02    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    10   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.01
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1     0.03  -0.00   0.00    -0.02   0.00  -0.00    -0.01   0.00  -0.00
    14   1    -0.02  -0.30   0.04     0.07   0.94  -0.12    -0.00  -0.10   0.01
    15   1     0.07  -0.08  -0.02    -0.05   0.05   0.01    -0.66   0.71   0.20
    16   1     0.89   0.04   0.30     0.29   0.01   0.10     0.08   0.00   0.03

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   865.735951667.363582402.00096
           X            0.99999   0.00406  -0.00272
           Y           -0.00407   0.99999  -0.00149
           Z            0.00271   0.00150   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10005     0.05195     0.03606
 Rotational constants (GHZ):           2.08463     1.08239     0.75135
 Zero-point vibrational energy     304952.0 (Joules/Mol)
                                   72.88527 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    103.77   126.21   164.83   328.20   343.68
          (Kelvin)            465.74   480.12   523.28   600.59   681.68
                              744.91   773.52   848.60   878.68   966.61
                             1060.14  1084.61  1090.44  1286.90  1302.33
                             1347.32  1467.95  1621.75  1636.58  1758.47
                             1786.19  1820.01  1865.58  1927.09  1973.16
                             1993.17  2028.44  2057.47  2117.98  2568.78
                             2618.84  4317.95  4347.70  4632.00  5157.39
                             5164.33  5291.59
 
 Zero-point correction=                           0.116150 (Hartree/Particle)
 Thermal correction to Energy=                    0.125383
 Thermal correction to Enthalpy=                  0.126327
 Thermal correction to Gibbs Free Energy=         0.081403
 Sum of electronic and zero-point Energies=           -607.579004
 Sum of electronic and thermal Energies=              -607.569771
 Sum of electronic and thermal Enthalpies=            -607.568827
 Sum of electronic and thermal Free Energies=         -607.613750
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   78.679             34.154             94.550
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.629
 Vibrational             76.902             28.193             23.994
 Vibration     1          0.598              1.967              4.094
 Vibration     2          0.601              1.958              3.710
 Vibration     3          0.607              1.937              3.190
 Vibration     4          0.651              1.798              1.894
 Vibration     5          0.657              1.781              1.811
 Vibration     6          0.708              1.628              1.291
 Vibration     7          0.715              1.608              1.242
 Vibration     8          0.737              1.547              1.106
 Vibration     9          0.780              1.432              0.901
 Vibration    10          0.831              1.308              0.727
 Vibration    11          0.873              1.211              0.615
 Vibration    12          0.893              1.167              0.570
 Vibration    13          0.947              1.054              0.468
 Vibration    14          0.970              1.009              0.432
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.360606D-37        -37.442967        -86.215617
 Total V=0       0.960087D+16         15.982311         36.800630
 Vib (Bot)       0.749085D-51        -51.125469       -117.720743
 Vib (Bot)    1  0.285867D+01          0.456164          1.050356
 Vib (Bot)    2  0.234481D+01          0.370108          0.852206
 Vib (Bot)    3  0.178599D+01          0.251879          0.579972
 Vib (Bot)    4  0.864137D+00         -0.063418         -0.146025
 Vib (Bot)    5  0.821299D+00         -0.085499         -0.196868
 Vib (Bot)    6  0.579430D+00         -0.236999         -0.545711
 Vib (Bot)    7  0.558637D+00         -0.252870         -0.582255
 Vib (Bot)    8  0.502713D+00         -0.298680         -0.687735
 Vib (Bot)    9  0.421464D+00         -0.375239         -0.864020
 Vib (Bot)   10  0.354871D+00         -0.449929         -1.036000
 Vib (Bot)   11  0.312413D+00         -0.505271         -1.163430
 Vib (Bot)   12  0.295358D+00         -0.529651         -1.219567
 Vib (Bot)   13  0.255819D+00         -0.592067         -1.363284
 Vib (Bot)   14  0.241804D+00         -0.616536         -1.419627
 Vib (V=0)       0.199438D+03          2.299808          5.295505
 Vib (V=0)    1  0.340207D+01          0.531743          1.224383
 Vib (V=0)    2  0.289753D+01          0.462028          1.063859
 Vib (V=0)    3  0.235466D+01          0.371928          0.856395
 Vib (V=0)    4  0.149836D+01          0.175618          0.404374
 Vib (V=0)    5  0.146153D+01          0.164807          0.379481
 Vib (V=0)    6  0.126534D+01          0.102206          0.235337
 Vib (V=0)    7  0.124972D+01          0.096812          0.222917
 Vib (V=0)    8  0.120903D+01          0.082436          0.189817
 Vib (V=0)    9  0.115394D+01          0.062182          0.143179
 Vib (V=0)   10  0.111313D+01          0.046548          0.107180
 Vib (V=0)   11  0.108958D+01          0.037258          0.085790
 Vib (V=0)   12  0.108072D+01          0.033713          0.077628
 Vib (V=0)   13  0.106164D+01          0.025979          0.059818
 Vib (V=0)   14  0.105540D+01          0.023417          0.053920
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.666561D+06          5.823840         13.409887
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  33           3      33                                        11         1111111111  11  1                                   
     6  55           2      00                                        87         4443332222  11  0  998  777 6 65 554 4333  22  1    
     7  88           1      20                                        28         7318739642  32  2  309  553 7 19 317 1632  32  187  
     8  95           9      21                                        05         2005197512  77  0  654  847 2 10 884 7444  98  582  
 
     X  XX           X      XX                                        XX         XXXXXXXXXX  XX  X  XXX  XXX X XX XXX XXXX  XX  XXX  
     X  XX           X                                                XX         XXXXXXX  X   X       X    X      X                  
     X  XX           X                                                XX         XXXX  X      X                                      
        XX           X                                                XX         XX X         X                                      
        X            X                                                XX          X X                                                
                     X                                                XX            X                                                
                     X                                                XX            X                                                
                     X                                                 X                                                             
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000004074   -0.000001755   -0.000003318
      2        8          -0.000003485   -0.000005707    0.000001032
      3        8           0.000005201    0.000002927   -0.000001410
      4        6           0.000003186    0.000004652    0.000001129
      5        6          -0.000004948    0.000003142   -0.000002528
      6        6          -0.000001929   -0.000008542    0.000005804
      7        8          -0.000004577    0.000006772    0.000000029
      8        8          -0.000000959   -0.000001581    0.000000714
      9        8           0.000003830   -0.000000467   -0.000005605
     10        8           0.000003193   -0.000001110    0.000000388
     11        1          -0.000001423   -0.000001061    0.000001238
     12        1          -0.000003339   -0.000007236   -0.000001271
     13        1           0.000002685    0.000012055    0.000001878
     14        1          -0.000000484   -0.000000824   -0.000000694
     15        1          -0.000002318    0.000000668    0.000001878
     16        1           0.000001293   -0.000001932    0.000000737
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012055 RMS     0.000003735
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.851764D+02 -0.225465D-01  0.235145D+01
      2  -0.225465D-01  0.767491D+02 -0.496731D+00
      3   0.235145D+01 -0.496731D+00  0.529973D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.398615D+01 -0.835850D+00 -0.476791D+01
      2  -0.160853D+01 -0.459769D+01 -0.324234D+01
      3  -0.139313D+02 -0.147284D+01  0.111856D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.117963D+02  0.221786D+02 -0.446920D+01
      2   0.537947D+01 -0.132729D+02  0.372368D+01
      3   0.641685D+01 -0.890572D+01  0.745520D+00
      4   0.180693D+02 -0.244213D+01 -0.105320D+02
      5  -0.422028D+01 -0.828899D+01 -0.336331D+01
      6  -0.723019D+01  0.738302D+00  0.782924D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.225021D+01 -0.681874D+00 -0.953316D-01  0.264551D+01  0.112177D+01
      2  -0.681874D+00  0.197375D+01 -0.261111D+00  0.112177D+01  0.522485D+01
      3  -0.953316D-01 -0.261111D+00  0.363361D+00 -0.243610D+00 -0.311920D+00
                 6             7             8             9            10 
      1  -0.243610D+00 -0.193652D+01  0.363728D+00  0.294833D+00 -0.214694D+01
      2  -0.311920D+00  0.363728D+00 -0.846960D+00 -0.559603D-01 -0.208736D+01
      3   0.725669D-01  0.294833D+00 -0.559603D-01 -0.825634D+00  0.260725D+00
                11            12            13            14            15 
      1  -0.208736D+01  0.260725D+00 -0.575139D+01 -0.130801D+00 -0.340852D-01
      2  -0.860476D+00  0.858153D-01 -0.130801D+00 -0.116970D+02  0.639087D+00
      3   0.858153D-01 -0.457430D+00 -0.340852D-01  0.639087D+00 -0.206807D+01
                16            17            18            19            20 
      1   0.998702D+00  0.381507D-01 -0.285837D+00  0.896525D+01  0.209821D+00
      2   0.381507D-01  0.884509D+00 -0.260993D+01  0.209821D+00  0.744979D+00
      3  -0.285837D+00 -0.260993D+01  0.925935D+00  0.550908D+00  0.114009D+00
                21            22            23            24            25 
      1   0.550908D+00 -0.187416D+01  0.110616D+01 -0.175677D+00  0.185997D+01
      2   0.114009D+00  0.110616D+01 -0.321081D+01  0.656508D+00 -0.154584D+00
      3   0.125577D+01 -0.175677D+00  0.656508D+00 -0.119952D+00  0.224152D+01
                26            27            28            29            30 
      1  -0.154584D+00  0.224152D+01  0.557652D+01 -0.109290D+01 -0.796994D+00
      2   0.842655D+00  0.421347D+00 -0.109290D+01 -0.672323D+00  0.446535D+00
      3   0.421347D+00  0.957800D+00 -0.796994D+00  0.446535D+00  0.212680D+01
                31            32            33            34            35 
      1  -0.762749D+00 -0.187225D+01  0.916350D+00 -0.263960D+01  0.597982D+00
      2  -0.187225D+01 -0.122102D+01  0.280674D+00  0.597982D+00  0.210318D+00
      3   0.916350D+00  0.280674D+00  0.149814D+01  0.284366D+01  0.371793D+00
                36            37            38            39            40 
      1   0.284366D+01 -0.550621D+01  0.157122D+01  0.737508D+00 -0.321036D+00
      2   0.371793D+00  0.157122D+01  0.115199D+01  0.610374D+00  0.189261D+01
      3   0.454247D+01  0.737508D+00  0.610374D+00 -0.190891D+01  0.104644D+01
                41            42            43            44            45 
      1   0.189261D+01  0.104644D+01  0.272902D+01  0.264131D-01 -0.278677D+01
      2  -0.259929D+00 -0.115774D+00  0.264131D-01  0.275041D+00  0.117838D+01
      3  -0.115774D+00  0.159943D+01 -0.278677D+01  0.117838D+01 -0.436746D+01
                46            47            48            49            50 
      1   0.714061D+01 -0.244648D+01  0.811745D+00 -0.412878D+01 -0.101751D+01
      2  -0.244648D+01  0.109138D+01 -0.134112D+00 -0.101751D+01  0.293797D+00
      3   0.811745D+00 -0.134112D+00  0.727766D+00 -0.784314D+00 -0.163278D+00
                51            52            53            54            55 
      1  -0.784314D+00  0.165775D+01 -0.249623D+00  0.364175D+00 -0.147746D+02
      2  -0.163278D+00 -0.249623D+00  0.655423D+00 -0.769612D+00  0.195581D+01
      3  -0.108798D+01  0.364175D+00 -0.769612D+00  0.872544D+00 -0.123359D+01
                56            57            58            59            60 
      1   0.195581D+01 -0.123359D+01  0.257020D+01 -0.231228D+01  0.329301D+00
      2  -0.381450D+01  0.925851D-01 -0.231228D+01  0.233431D+01 -0.298102D+00
      3   0.925851D-01 -0.237683D+01  0.329301D+00 -0.298102D+00  0.100512D+01
                61            62            63            64            65 
      1  -0.215373D+01  0.238854D+00 -0.333665D+01  0.503435D+01  0.125885D+01
      2   0.238854D+00 -0.932091D+00  0.798888D+00  0.125885D+01  0.401987D+01
      3  -0.333665D+01  0.798888D+00 -0.168379D+01 -0.671349D+00 -0.486255D+00
                66            67            68            69            70 
      1  -0.671349D+00  0.162537D+00  0.282164D+01 -0.305597D+00 -0.626573D+00
      2  -0.486255D+00  0.282164D+01  0.279423D+01 -0.106079D+01 -0.173760D-01
      3   0.515260D+00 -0.305597D+00 -0.106079D+01 -0.797940D-01  0.748458D+00
                71            72            73            74            75 
      1  -0.173760D-01  0.748458D+00  0.248334D+01  0.123927D+01  0.626199D+00
      2  -0.110753D+01  0.122931D+01  0.123927D+01  0.177785D+01 -0.176443D+00
      3   0.122931D+01 -0.718623D+00  0.626199D+00 -0.176443D+00  0.832817D+00
                76            77            78            79            80 
      1   0.163479D+01 -0.865107D+00 -0.710394D+00  0.122024D+01 -0.400474D+00
      2  -0.865107D+00  0.614856D+01  0.125600D+01 -0.400474D+00  0.177341D+01
      3  -0.710394D+00  0.125600D+01  0.646603D+00 -0.283809D+00  0.152697D+01
                81            82            83            84            85 
      1  -0.283809D+00 -0.771493D+01 -0.136289D+01 -0.689556D+00  0.684451D+00
      2   0.152697D+01 -0.136289D+01 -0.150782D+01 -0.643092D-01 -0.574021D+00
      3   0.111344D+01 -0.689556D+00 -0.643092D-01 -0.193307D+00  0.362737D+00
                86            87            88            89            90 
      1  -0.574021D+00  0.362737D+00 -0.127507D+01  0.611902D-01  0.284416D-01
      2  -0.719937D+01 -0.287689D+00  0.611902D-01 -0.774759D+00 -0.189572D+01
      3  -0.287689D+00 -0.110001D+01  0.284416D-01 -0.189572D+01 -0.480744D+00
                91            92            93            94            95 
      1  -0.191059D+01 -0.236838D+00 -0.113031D+01 -0.416946D+00  0.168592D+00
      2  -0.236838D+00 -0.314509D+00 -0.112895D+00  0.168592D+00 -0.489748D+00
      3  -0.113031D+01 -0.112895D+00 -0.158897D+01 -0.309521D+00 -0.120143D+01
                96            97            98            99           100 
      1  -0.309521D+00 -0.150520D+01 -0.315872D+00 -0.106416D+01  0.198035D+01
      2  -0.120143D+01 -0.315872D+00 -0.176566D+01 -0.510354D+00 -0.493761D+00
      3  -0.972055D+00 -0.106416D+01 -0.510354D+00 -0.720588D+01  0.116133D+01
               101           102           103           104           105 
      1  -0.493761D+00  0.116133D+01 -0.610596D+00 -0.116735D+00 -0.296173D+00
      2   0.127304D+00 -0.182259D+00 -0.116735D+00 -0.536824D+00  0.120306D+01
      3  -0.182259D+00  0.154687D+01 -0.296173D+00  0.120306D+01 -0.104948D+01
               106           107           108           109           110 
      1   0.157167D+01 -0.222695D+00  0.132554D+01  0.848049D+01 -0.410621D+00
      2  -0.222695D+00  0.160591D+01 -0.736459D+00 -0.410621D+00  0.135250D+01
      3   0.132554D+01 -0.736459D+00  0.711516D+01  0.429177D+00  0.196091D+00
               111           112           113           114           115 
      1   0.429177D+00 -0.477325D+00  0.365673D+00 -0.165781D-01  0.118310D+01
      2   0.196091D+00  0.365673D+00 -0.183562D+01  0.498045D-01 -0.838200D-01
      3   0.342266D+00 -0.165781D-01  0.498045D-01 -0.527905D+00  0.224702D-01
               116           117           118           119           120 
      1  -0.838200D-01  0.224702D-01  0.156393D+01  0.120621D+01 -0.126104D+00
      2   0.290559D+00 -0.510404D+00  0.120621D+01  0.711023D+00  0.961206D-01
      3  -0.510404D+00  0.682478D-01 -0.126104D+00  0.961206D-01  0.578834D+00
               121           122           123           124           125 
      1   0.367008D+01  0.113978D+01  0.433343D+00 -0.386237D+00  0.875108D-01
      2   0.113978D+01  0.438000D+01 -0.318417D+00  0.875108D-01 -0.386662D+00
      3   0.433343D+00 -0.318417D+00  0.779407D+00  0.569893D+00  0.436947D+00
               126           127           128           129           130 
      1   0.569893D+00 -0.229082D+01  0.595170D+00  0.619033D+00  0.213831D+01
      2   0.436947D+00  0.595170D+00 -0.232890D+01  0.626779D-01 -0.703491D+00
      3   0.863629D-01  0.619033D+00  0.626779D-01 -0.513494D+00 -0.250346D+00
               131           132           133           134           135 
      1  -0.703491D+00 -0.250346D+00  0.745625D+00 -0.757069D-01 -0.100628D+00
      2   0.506555D+01  0.469436D-02 -0.757069D-01  0.555327D+00  0.764419D+00
      3   0.469436D-02  0.110248D+01 -0.100628D+00  0.764419D+00  0.916612D-02
               136           137           138           139           140 
      1  -0.463052D+01  0.776370D+00 -0.453395D+00  0.837092D+00 -0.102404D+01
      2   0.776370D+00 -0.345212D+01 -0.286825D+00 -0.102404D+01  0.209033D+00
      3  -0.453395D+00 -0.286825D+00 -0.125080D+01  0.381278D-01 -0.332428D+00
               141           142           143           144 
      1   0.381278D-01 -0.144314D+01  0.106322D+00 -0.581140D+00
      2  -0.332428D+00  0.106322D+00 -0.127948D+01  0.360387D+00
      3   0.301510D+00 -0.581140D+00  0.360387D+00 -0.409005D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.232857D+00 -0.184090D+01  0.126559D+01 -0.356887D+01  0.269394D+01
      2   0.334586D+01 -0.301689D+01 -0.449443D+01 -0.443644D+01  0.489485D+00
      3  -0.217900D+00 -0.374205D+01  0.216814D+01 -0.662806D+01 -0.619476D+01
                 6             7             8             9            10 
      1   0.773899D+01 -0.360811D+00  0.953259D+01 -0.282841D+01  0.244369D+00
      2   0.175822D+00 -0.132912D+02  0.230584D+01 -0.459355D+01 -0.258861D+00
      3   0.190005D+01  0.451158D+01  0.277660D+01 -0.147056D+01  0.611355D+01
                11            12            13            14            15 
      1   0.275957D+00 -0.475421D+00  0.787563D-01  0.195320D+00 -0.104913D+02
      2   0.689902D+00  0.315060D+01  0.860791D+00  0.920235D+00 -0.194344D+01
      3  -0.901324D+00 -0.106709D+01  0.176076D+02  0.177937D+02 -0.113936D+01
                16            17            18            19            20 
      1   0.133981D+01 -0.492701D+00  0.223247D+01  0.618819D+00  0.666642D+00
      2  -0.243651D+01 -0.526783D+01  0.213446D+01  0.844293D+00  0.575213D+00
      3  -0.286489D+01 -0.126514D+01  0.514244D+01 -0.257762D+01 -0.917941D+01
                21            22            23            24            25 
      1  -0.536942D+00  0.769628D+00 -0.159611D+01 -0.212853D+01  0.168334D+01
      2   0.881797D+01  0.827817D+00  0.189159D+01 -0.133769D+01  0.479687D+01
      3  -0.557446D+00 -0.392665D+00  0.134424D+02 -0.264397D+01 -0.105157D+01
                26            27            28            29            30 
      1   0.169997D+01  0.402275D+00  0.459607D+00  0.116476D+01  0.172887D+01
      2  -0.145275D+01  0.354955D+01 -0.286725D+01  0.910838D+00  0.350067D+01
      3  -0.408065D+01 -0.164807D+01  0.555092D+00 -0.349559D+01 -0.116833D+00
                31            32            33            34            35 
      1   0.322472D+01  0.273058D+00 -0.221902D+01 -0.176092D+01  0.256316D+01
      2   0.257814D+01 -0.495795D+00 -0.169874D+01 -0.293289D+01  0.731681D+00
      3   0.494810D+01  0.178734D+01 -0.102276D+01 -0.149252D+01 -0.365293D+00
                36            37            38            39            40 
      1  -0.155257D+01 -0.574193D+00  0.199450D+01 -0.147040D+01  0.110532D+01
      2   0.358603D+01 -0.160883D+01 -0.779738D+00  0.284864D+01 -0.229718D+01
      3  -0.732854D-01  0.907487D+00 -0.160638D+01 -0.121224D-01  0.634628D+01
                41            42            43            44            45 
      1  -0.219517D+00 -0.193347D+01  0.111324D+01  0.207040D+01  0.210639D+01
      2  -0.849659D+00  0.107787D+01 -0.343385D+01 -0.185067D+01  0.333024D+01
      3   0.642129D+00  0.556958D+00  0.228673D+01 -0.729974D+00  0.569290D+00
                46            47            48            49            50 
      1   0.459023D-01 -0.482971D+01 -0.161653D+01 -0.382957D+01 -0.268492D+01
      2   0.384027D+01  0.285061D+01 -0.836048D+01  0.403158D+01  0.175484D+01
      3  -0.543613D+01  0.742887D+01 -0.130621D+01  0.351421D+01 -0.434577D+01
                51            52            53            54            55 
      1   0.541890D+01  0.198575D+01  0.122813D+02  0.241180D+01 -0.106161D+01
      2   0.244061D+01 -0.132773D+02 -0.202943D+01 -0.549441D+01  0.467721D+00
      3   0.180635D+01 -0.227634D+01  0.542090D+01 -0.880079D+00  0.967433D+01
                56            57            58            59            60 
      1   0.225700D+01  0.675839D+00  0.108964D+01 -0.503942D+00 -0.350112D+01
      2  -0.694133D+00  0.137327D+02 -0.127376D+01 -0.120236D+00 -0.226084D+01
      3  -0.198298D+02  0.736054D+00 -0.268218D+01  0.101599D+02 -0.726484D+00
                61            62            63            64            65 
      1  -0.258989D+01  0.150682D+01 -0.970320D+00  0.180659D+01 -0.214694D+01
      2   0.481064D+01  0.560931D+00  0.518748D+01  0.160816D+01  0.880809D-01
      3   0.106005D+01 -0.432640D+01  0.349904D+01  0.126953D+02 -0.923360D+01
                66            67            68            69            70 
      1  -0.308937D+01 -0.263137D+01 -0.690945D+00 -0.342127D+01 -0.150854D+01
      2   0.369804D+01 -0.122380D+00 -0.226689D+00  0.195301D+01 -0.187248D+01
      3  -0.191227D+01 -0.301913D+01  0.140379D+01  0.199816D+01 -0.333422D+01
                71            72            73            74            75 
      1   0.304519D+01  0.883476D+00 -0.121537D+01 -0.743772D+00 -0.691866D+00
      2   0.120727D+01 -0.974578D+00 -0.185490D+01 -0.164565D+01  0.132248D+01
      3   0.168293D+01  0.241866D+00  0.119415D+02  0.651867D+01  0.265630D+01
                76            77            78            79            80 
      1  -0.959828D-01  0.282044D+01 -0.568644D+01 -0.242113D+00  0.139740D+01
      2  -0.463515D+00 -0.687458D+00 -0.214910D+01 -0.328166D+01 -0.293610D+00
      3   0.808113D+01  0.723802D+01  0.231178D+00  0.430147D+01  0.342799D+01
                81            82            83            84            85 
      1  -0.154732D+01 -0.138082D+01  0.113902D+01 -0.755996D+00  0.155242D+00
      2  -0.165274D+01  0.819932D-02 -0.150764D+00  0.356754D+01 -0.106794D+01
      3   0.187146D+01  0.220944D+02 -0.566580D+01  0.160112D+01  0.455896D+01
                86            87            88            89            90 
      1  -0.167535D+00 -0.740378D+01 -0.196079D+01 -0.226211D+01 -0.172125D+01
      2   0.204877D+00  0.328673D+00 -0.106873D+01  0.401608D+01  0.131485D+01
      3  -0.823558D+01 -0.833352D+00  0.442686D+01 -0.207438D+01 -0.315819D+01
                91            92            93            94            95 
      1   0.871747D+00  0.941139D+00  0.661459D+00  0.802218D+00  0.764983D+00
      2  -0.219159D+01 -0.494817D+00 -0.603285D+00 -0.126275D+01 -0.122064D+01
      3  -0.587590D+00 -0.275265D+00 -0.254751D+00  0.921862D+00  0.204462D+00
                96            97            98            99           100 
      1   0.654433D+00  0.582242D+00  0.331615D+01  0.218675D+01 -0.904680D+00
      2  -0.600260D+00 -0.351609D+01 -0.239262D+00 -0.426753D+01 -0.203433D+01
      3   0.758076D+00 -0.262848D+00  0.533280D+00 -0.289245D+00  0.190797D+00
               101           102           103           104           105 
      1   0.791973D+00 -0.784987D+00  0.680936D+00 -0.125509D+01  0.592487D+00
      2   0.454358D+00 -0.530349D+00  0.124342D+01 -0.853201D+00  0.617917D+00
      3  -0.743361D+00  0.261969D+00  0.827794D+00 -0.682451D+00  0.724941D+00
               106           107           108           109           110 
      1  -0.841033D+00  0.306318D+01 -0.262713D+01  0.124249D+01 -0.433051D+00
      2  -0.387254D+01  0.711509D+00 -0.410883D+01  0.253516D+00 -0.190301D+00
      3  -0.152412D+00  0.343856D+00 -0.205585D+00 -0.269103D+02  0.688168D+01
               111           112           113           114           115 
      1   0.107294D+01 -0.469354D+00  0.649206D-01 -0.590692D+00  0.496617D+00
      2  -0.276651D+01  0.288734D-01 -0.106131D+00  0.331223D+00 -0.278016D+01
      3  -0.121499D+01  0.410960D+01 -0.221581D+01  0.142398D+00 -0.365512D+01
               116           117           118           119           120 
      1   0.488909D+00  0.270886D+00  0.423300D+00 -0.419657D+00 -0.759378D+00
      2   0.340591D+00 -0.225496D+00 -0.190236D+00 -0.773082D-01  0.690057D+00
      3   0.112085D+01 -0.309846D+00 -0.408213D+01 -0.894804D+00 -0.498259D+00
               121           122           123           124           125 
      1  -0.212935D-01  0.203685D+01 -0.387601D+00  0.147910D+00  0.983318D+00
      2   0.639201D+00 -0.155148D+01  0.318520D+01  0.100861D+00  0.188677D+01
      3  -0.139753D+01 -0.191312D+02  0.194454D+01 -0.151251D-01  0.240291D+01
               126           127           128           129           130 
      1  -0.215236D+00 -0.309215D+01  0.148922D+01  0.189930D+01  0.130010D+01
      2  -0.411815D+00 -0.106488D+01  0.298544D+00 -0.672347D+00  0.555167D+00
      3  -0.119169D+01 -0.113557D+02  0.532470D+01  0.281683D+01  0.856479D+01
               131           132           133           134           135 
      1  -0.229546D+01 -0.279329D+01  0.507801D+00 -0.125591D+01 -0.660937D+00
      2  -0.309834D+00  0.697601D+00 -0.110648D+01  0.507689D+00  0.734605D+00
      3  -0.853354D+01 -0.110849D+01  0.358674D+01 -0.157308D+01 -0.122628D+01
               136           137           138           139           140 
      1   0.228314D+01 -0.306186D+00  0.287690D+01  0.232558D+00  0.812333D+00
      2   0.288019D+01  0.933736D+00  0.259693D+01  0.158974D+00  0.116009D+01
      3  -0.129946D+02 -0.896282D+01 -0.305244D+01 -0.277179D+01 -0.334292D+01
               141           142           143           144 
      1  -0.346577D+00  0.139687D+01  0.438682D+00  0.138112D+01
      2  -0.817864D+00  0.572555D+00 -0.112446D+01  0.715333D+00
      3  -0.141185D+01 -0.506839D+01 -0.329440D+01 -0.871258D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.199191D+02  0.197717D+01 -0.751666D+00 -0.488149D+00  0.234898D+02
      2   0.114706D+02 -0.477860D+01  0.225292D+01  0.591535D+00 -0.302547D+02
      3   0.844850D+01  0.280143D+01 -0.150125D+01 -0.103385D+00  0.676492D+01
      4  -0.579905D+01  0.502372D+00 -0.969135D+00 -0.464175D+01  0.904446D+01
      5  -0.235017D+01 -0.203744D+01 -0.755744D+01  0.441952D+00  0.554760D+00
      6   0.518207D+00 -0.142820D+00 -0.466927D+01  0.101712D+00  0.174270D+01
                 6             7             8             9            10 
      1  -0.277389D+01 -0.832038D+01 -0.544419D+01 -0.274946D+01 -0.237963D+01
      2   0.709555D-01  0.608909D+01  0.419918D+01 -0.627834D+01  0.613852D+01
      3   0.270293D+01  0.223129D+01  0.124502D+01  0.902780D+01 -0.375889D+01
      4  -0.912497D+00  0.639001D+00 -0.171296D+01 -0.865269D+00 -0.446189D+01
      5  -0.211031D+01  0.290921D+01  0.121971D+01 -0.492397D+01  0.302017D-02
      6  -0.889328D+01 -0.713268D+00  0.190333D+01  0.357986D+01 -0.111454D+01
                11            12            13            14            15 
      1  -0.878997D+01  0.748690D+00 -0.142278D+02 -0.354123D+02  0.118409D+01
      2   0.721736D+01 -0.771870D+00  0.826657D+01  0.529275D+02 -0.802322D+00
      3   0.157261D+01  0.231800D-01  0.596120D+01 -0.175152D+02 -0.381767D+00
      4   0.153776D+02 -0.791004D+00  0.150389D+02 -0.280834D+02  0.129673D+01
      5  -0.189668D+00  0.511626D+01 -0.165095D+01 -0.172076D+00 -0.427890D+01
      6  -0.416135D+00  0.134678D+01 -0.924956D+00 -0.265542D+01  0.156371D+02
                16            17            18            19            20 
      1   0.280810D+01  0.385042D+01 -0.969569D+01  0.642370D+02  0.124742D+01
      2  -0.234683D+01 -0.277114D+01  0.678718D+01 -0.383864D+02 -0.589809D+00
      3  -0.461263D+00 -0.107928D+01  0.290850D+01 -0.258506D+02 -0.657608D+00
      4  -0.120362D+01  0.160397D+01 -0.735033D+01  0.586555D+00  0.105153D+02
      5   0.377046D+01 -0.829095D+01  0.241294D+01  0.460255D+01  0.137867D+01
      6   0.535969D+00  0.138207D+02 -0.406805D+01  0.803082D+00  0.482514D+00
                21            22            23            24            25 
      1   0.267055D+01 -0.773442D+01  0.397603D+01 -0.565727D+00  0.733528D+01
      2  -0.256494D+01  0.374050D+01 -0.510621D+00  0.823246D+00 -0.662481D+01
      3  -0.105606D+00  0.399393D+01 -0.346541D+01 -0.257519D+00 -0.710467D+00
      4   0.103689D+01  0.116456D+02 -0.149556D+02  0.322895D+01  0.164453D+01
      5   0.170935D+02 -0.382007D+00  0.328810D+01 -0.515676D+00  0.189245D+02
      6   0.130071D+01  0.157983D+00  0.619470D-01  0.420542D+01 -0.122588D+01
                26            27            28            29            30 
      1   0.132112D+01  0.965318D+01 -0.123671D+00  0.549912D+01  0.137119D+01
      2  -0.107336D+00 -0.109799D+02  0.171599D+01 -0.565563D+01  0.377447D+01
      3  -0.121378D+01  0.132667D+01 -0.159232D+01  0.156514D+00 -0.514566D+01
      4   0.358376D+01 -0.378616D+00 -0.241913D+01 -0.292853D+01  0.357965D-03
      5   0.141393D+01  0.724314D+01 -0.119205D+01  0.182914D+01  0.486462D+00
      6   0.372239D+01 -0.213734D+00 -0.148350D+01  0.157316D+01 -0.313901D+01
                31            32            33            34            35 
      1   0.101467D+01 -0.876883D+00  0.377719D+01  0.226678D+01  0.250933D+01
      2   0.521007D+00 -0.222193D+01  0.294785D+01  0.316532D+01 -0.779679D+00
      3  -0.153568D+01  0.309882D+01 -0.672504D+01 -0.543210D+01 -0.172965D+01
      4  -0.857393D+01 -0.783141D+01  0.211242D+01 -0.165094D+01  0.266724D+01
      5   0.103240D+01  0.129385D+01 -0.330087D+01  0.160108D+01  0.156456D+01
      6   0.181049D+01  0.168771D+01 -0.429145D+01  0.297301D+01  0.921087D+00
                36            37            38            39            40 
      1   0.810141D+01  0.160271D+01 -0.648621D+01  0.216988D+01  0.369640D+00
      2   0.750479D+01 -0.139774D+01  0.464009D+01  0.204280D+01 -0.228324D+01
      3  -0.156062D+02 -0.204969D+00  0.184611D+01 -0.421268D+01  0.191360D+01
      4   0.458683D+01  0.340076D+00 -0.341066D+01 -0.330006D+00 -0.788323D+01
      5   0.740594D+00 -0.894057D-01 -0.140537D+01 -0.275197D+00 -0.797029D+00
      6  -0.117116D+01  0.129395D+01  0.697449D+00  0.392847D+01  0.309111D+01
                41            42            43            44            45 
      1  -0.361909D+00 -0.351544D+01  0.435882D+01 -0.296839D+01  0.855444D+01
      2  -0.305958D+01 -0.295732D+01  0.250480D+01 -0.941172D+00  0.611839D+01
      3   0.342149D+01  0.647275D+01 -0.686362D+01  0.390957D+01 -0.146728D+02
      4   0.267266D+01  0.244754D+01  0.237522D-01  0.164068D+01 -0.548313D+01
      5   0.363297D+00  0.328242D+01  0.105555D+01 -0.201899D+01  0.791731D+00
      6  -0.189549D+01 -0.432727D+01 -0.293542D+01  0.132450D+01  0.990729D+00
                46            47            48            49            50 
      1  -0.457620D+02  0.491352D+01 -0.260966D+01  0.185020D+02  0.136650D+02
      2   0.296979D+02 -0.295987D-01  0.498300D+01 -0.121102D+02 -0.175030D+02
      3   0.160641D+02 -0.488392D+01 -0.237334D+01 -0.639182D+01  0.383805D+01
      4   0.854561D+01 -0.112591D+02  0.471519D+00  0.245020D+01  0.300471D+01
      5  -0.575237D+01  0.160175D+01 -0.130119D+02  0.285039D+01  0.921482D+00
      6   0.286489D+00 -0.676727D+00  0.436448D+01  0.144285D+01 -0.355663D+00
                51            52            53            54            55 
      1   0.391471D+01 -0.104962D+02  0.515718D+01 -0.728921D+01  0.952652D+02
      2  -0.126229D+01  0.800811D+01 -0.269030D+01 -0.201377D+01 -0.571403D+02
      3  -0.265242D+01  0.248814D+01 -0.246688D+01  0.930298D+01 -0.381250D+02
      4   0.956090D+00  0.199110D+01 -0.357116D+01  0.261487D+01 -0.557027D+01
      5   0.620962D+01  0.735889D+00  0.124794D+01 -0.714825D+01  0.908496D+01
      6  -0.755703D+01 -0.844956D-01  0.244087D+01 -0.231156D+01 -0.103296D+01
                56            57            58            59            60 
      1  -0.107139D+02  0.528579D+01 -0.122866D+02  0.849615D+01 -0.167298D+01
      2   0.766305D+01 -0.529180D+01  0.879308D+01 -0.145882D+01  0.138229D+01
      3   0.305082D+01  0.600913D-02  0.349353D+01 -0.703733D+01  0.290689D+00
      4   0.242143D+02 -0.613184D+00  0.185740D+02 -0.826800D+01  0.229832D+01
      5  -0.156330D+01  0.240261D+02 -0.213285D+01  0.228410D+01 -0.528507D+01
      6   0.151097D+01 -0.141542D+01  0.116929D+01 -0.479074D-01  0.557784D+01
                61            62            63            64            65 
      1   0.963747D+01 -0.259307D+01  0.144379D+02  0.136758D+02 -0.915878D+01
      2  -0.898907D+01  0.176455D+01 -0.144068D+02 -0.618526D+01  0.166397D+02
      3  -0.648406D+00  0.828514D+00 -0.311610D-01 -0.749049D+01 -0.748090D+01
      4  -0.252257D+01  0.474526D+01 -0.187126D+01  0.163465D+02  0.143702D+02
      5   0.250260D+02 -0.350125D+01  0.115182D+02 -0.268483D+01 -0.139889D+01
      6   0.153074D+01  0.439955D+01  0.266327D+00 -0.322941D+01 -0.356901D+01
                66            67            68            69            70 
      1   0.460658D+00 -0.507906D+01 -0.273176D+01  0.143586D+01 -0.582222D+00
      2  -0.802479D+00  0.864048D+01  0.933121D+01 -0.329212D+01  0.153519D+01
      3   0.341821D+00 -0.356142D+01 -0.659944D+01  0.185626D+01 -0.952967D+00
      4  -0.292653D+01  0.139498D+02  0.189759D+02 -0.207583D+01 -0.168842D+01
      5   0.729439D+01 -0.102349D+01 -0.418492D+01  0.393367D+01  0.568648D+01
      6   0.502373D+01 -0.170238D+01 -0.517452D+01  0.963897D+01  0.360565D+01
                71            72            73            74            75 
      1   0.458125D+01 -0.423486D+01 -0.389222D+01 -0.250326D+01 -0.266246D+01
      2  -0.315819D+01 -0.850113D+00  0.350675D+01  0.172033D+01  0.208373D+00
      3  -0.142305D+01  0.508497D+01  0.385470D+00  0.782933D+00  0.245409D+01
      4  -0.253494D+01  0.468075D+01  0.333582D+01  0.267303D+00  0.196508D+01
      5   0.302546D+01 -0.315930D+01 -0.230133D+01  0.535872D-01  0.486586D+01
      6   0.773236D+01 -0.378130D+01  0.323084D+01 -0.970980D+00 -0.153561D+00
                76            77            78            79            80 
      1  -0.186460D+01 -0.181307D+02 -0.204585D+01 -0.203475D+01 -0.504679D+01
      2  -0.782224D+00  0.285705D+02  0.270277D+01  0.136049D+01  0.403106D+01
      3   0.264682D+01 -0.104399D+02 -0.656924D+00  0.674261D+00  0.101573D+01
      4   0.129445D+02 -0.185109D+02 -0.432575D+01  0.461194D+01 -0.563510D+01
      5   0.194932D+01 -0.373938D+01 -0.525913D+01  0.442154D+01 -0.319715D+01
      6  -0.329306D+01  0.739896D+01  0.120053D+02 -0.148369D+01  0.890402D+01
                81            82            83            84            85 
      1  -0.686302D+01  0.103463D+02  0.342422D+01  0.131851D+01 -0.222901D+01
      2   0.146128D+01 -0.290705D+01 -0.924320D+00 -0.128365D+01  0.265043D+01
      3   0.540174D+01 -0.743929D+01 -0.249990D+01 -0.348638D-01 -0.421421D+00
      4  -0.316787D+01  0.194073D+02  0.196333D+02  0.142430D+01  0.834746D+01
      5  -0.387812D+01  0.104261D+01  0.226862D+00  0.679422D+01 -0.684673D+00
      6   0.532011D+01  0.294421D+01 -0.255270D+00  0.223135D+00 -0.176861D+01
                86            87            88            89            90 
      1  -0.235420D+02 -0.177769D+01  0.151375D+01 -0.284088D+01 -0.748036D+01
      2   0.371504D+02  0.109494D+01 -0.148543D+01  0.192496D+01  0.433784D+01
      3  -0.136084D+02  0.682749D+00 -0.283147D-01  0.915923D+00  0.314252D+01
      4   0.191276D+02 -0.304381D+00  0.229019D+01  0.195782D+01  0.638981D+01
      5  -0.684933D+00  0.149337D+01  0.423552D+01  0.641869D+01  0.142370D+01
      6   0.100358D+01  0.131878D+02 -0.106832D+00  0.119716D+02  0.260256D+01
                91            92            93            94            95 
      1  -0.178758D+01 -0.907816D+00 -0.307697D+01 -0.148061D+01 -0.263267D+01
      2  -0.348996D+01 -0.245219D+00 -0.215765D+01 -0.527375D+00 -0.958181D+00
      3   0.527755D+01  0.115303D+01  0.523462D+01  0.200798D+01  0.359085D+01
      4  -0.997398D+00  0.115249D+01 -0.756150D+00  0.231309D+01 -0.425361D+00
      5   0.168138D+01  0.151859D+00  0.469194D+01  0.442565D+00 -0.247326D+00
      6   0.291122D+00  0.785032D+00 -0.167049D+00  0.745189D+00  0.120747D+01
                96            97            98            99           100 
      1  -0.200156D+01 -0.330649D+01 -0.368405D+00 -0.174082D+02 -0.243459D+01
      2  -0.274678D+01 -0.267409D+01 -0.247684D+01 -0.146907D+02 -0.279161D+01
      3   0.474834D+01  0.598058D+01  0.284524D+01  0.320989D+02  0.522621D+01
      4  -0.955969D+00 -0.386490D+00 -0.253325D+01 -0.108312D+01  0.137938D+01
      5  -0.108991D+00  0.438182D+01 -0.166376D+00 -0.219290D+01  0.158831D+01
      6   0.538932D+01 -0.203895D+00  0.452720D+01 -0.777524D+00 -0.242385D+00
               101           102           103           104           105 
      1   0.131662D+01 -0.327758D+01  0.187252D+01 -0.246551D+01  0.226382D+01
      2   0.129678D+00 -0.184308D+01  0.372026D+00 -0.124274D+01  0.266759D+01
      3  -0.144630D+01  0.512065D+01 -0.224454D+01  0.370825D+01 -0.493141D+01
      4   0.171370D+01  0.765442D+00  0.221968D+01  0.931794D+00 -0.117536D+01
      5  -0.283586D+00  0.477157D+01 -0.607460D+00 -0.110721D+00  0.292650D+00
      6   0.855829D+00  0.576133D-01  0.830892D+00 -0.151791D+01  0.527506D+01
               106           107           108           109           110 
      1  -0.488178D+01  0.987760D+00 -0.179897D+02 -0.113712D+02  0.378588D+01
      2  -0.234542D+01  0.288418D+01 -0.134817D+02  0.575431D+01 -0.474157D+01
      3   0.722720D+01 -0.387194D+01  0.314715D+02  0.561687D+01  0.955684D+00
      4   0.726983D+00 -0.226711D+01  0.183601D+01 -0.154734D+02 -0.118542D+02
      5   0.422228D+01  0.101421D+00 -0.197865D+01 -0.102467D+01  0.814563D-01
      6   0.593827D+00  0.450757D+01  0.804905D+00 -0.228842D+01 -0.668487D+00
               111           112           113           114           115 
      1   0.520167D-01  0.193502D+01 -0.577100D+01  0.843390D-01 -0.112396D+01
      2  -0.944655D-02 -0.184308D+01  0.806972D+01 -0.193460D+00  0.589645D+00
      3  -0.425701D-01 -0.919387D-01 -0.229872D+01  0.109121D+00  0.534314D+00
      4  -0.904295D+00  0.750546D+00  0.164809D+01  0.760150D-01 -0.203885D+01
      5  -0.497022D+01  0.940489D-01 -0.227448D+00  0.593004D+00  0.251672D+00
      6  -0.129274D+01  0.192243D-02 -0.151417D+00  0.176323D+01 -0.349225D+00
               116           117           118           119           120 
      1   0.560463D+00 -0.217514D+01  0.707037D+01  0.581819D+01 -0.447195D+00
      2  -0.811117D+00  0.784156D+00 -0.265302D+01 -0.220495D+01  0.695655D+00
      3   0.250653D+00  0.139099D+01 -0.441734D+01 -0.361325D+01 -0.248461D+00
      4  -0.141546D+01  0.196141D+00  0.697116D+01  0.538837D+01 -0.657482D-01
      5   0.597145D+00 -0.358515D+00 -0.809163D+00  0.586276D-01  0.195380D+01
      6   0.258773D+01 -0.349919D+00 -0.274063D+00  0.198920D+00  0.108392D+01
               121           122           123           124           125 
      1   0.191557D+02  0.407940D+01  0.148168D+01 -0.257191D+01 -0.188909D+00
      2  -0.104485D+02 -0.763804D+00 -0.163153D+01  0.157047D+01  0.215134D-01
      3  -0.870729D+01 -0.331560D+01  0.149858D+00  0.100144D+01  0.167395D+00
      4   0.798927D+01  0.221420D+02 -0.956212D+00  0.195032D+00 -0.160855D+01
      5   0.199292D+01 -0.127706D+01  0.490032D+01  0.355087D+01  0.277944D+01
      6   0.116554D+01  0.911317D+00  0.310201D+00  0.626109D+00  0.163713D+01
               126           127           128           129           130 
      1   0.115832D+01 -0.487744D+01  0.807375D+01 -0.956222D+00  0.594631D+01
      2  -0.114792D+01  0.446854D+01 -0.112407D+02 -0.455424D+00 -0.564742D+01
      3  -0.104025D-01  0.408899D+00  0.316694D+01  0.141165D+01 -0.298891D+00
      4   0.285097D+01 -0.562010D+01 -0.724324D+00  0.155041D+01  0.438397D+01
      5  -0.210868D+00  0.108071D+01 -0.659982D+00 -0.135058D+01 -0.106624D+01
      6   0.454330D+00  0.171949D+01  0.221800D+01 -0.188116D+01 -0.576465D+00
               131           132           133           134           135 
      1  -0.167234D+02  0.910130D-01  0.209911D+01 -0.187047D+01 -0.260110D+01
      2   0.252204D+02  0.858550D+00 -0.135241D+01  0.295724D+01  0.272009D+01
      3  -0.849700D+01 -0.949564D+00 -0.746705D+00 -0.108677D+01 -0.118993D+00
      4   0.374607D+01 -0.663061D+00  0.140250D+01  0.141012D+01 -0.470012D-01
      5   0.677365D+00  0.174725D+01  0.898863D+00  0.634808D+00  0.122007D+01
      6  -0.164856D+01  0.429831D+01 -0.612944D+00  0.419450D+01  0.200781D+00
               136           137           138           139           140 
      1   0.139186D+02  0.247394D+01  0.283973D+01 -0.339063D+01  0.377575D+01
      2  -0.458561D+01 -0.758477D+01 -0.344510D+00  0.362764D-01 -0.964300D+00
      3  -0.933296D+01  0.511083D+01 -0.249522D+01  0.335436D+01 -0.281145D+01
      4  -0.165937D+02  0.137911D+02 -0.354680D+00  0.566833D+01 -0.324115D+01
      5  -0.528095D+00  0.165955D+01  0.306852D+01 -0.458908D+00  0.126092D+01
      6  -0.142210D+01 -0.162244D+01 -0.461064D+01  0.999293D-01 -0.106352D+01
               141           142           143           144 
      1   0.451591D+00  0.173080D+01  0.268475D+01  0.124991D+01
      2  -0.324678D+00 -0.572684D+00 -0.371575D+01 -0.119610D+01
      3  -0.126913D+00 -0.115811D+01  0.103100D+01 -0.538127D-01
      4   0.130445D+01 -0.403414D+01  0.366967D+01 -0.290879D+01
      5  -0.159336D+01  0.350471D+01 -0.185095D+01  0.851647D+00
      6   0.777780D+00 -0.217221D+01  0.215457D+01 -0.204308D+01
 Leave Link  716 at Fri Jul 23 18:19:35 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.851764D+02 -0.225465D-01  0.235145D+01
      2  -0.225465D-01  0.767491D+02 -0.496731D+00
      3   0.235145D+01 -0.496731D+00  0.529973D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.398615D+01 -0.835850D+00 -0.476791D+01
      2  -0.160853D+01 -0.459769D+01 -0.324234D+01
      3  -0.139313D+02 -0.147284D+01  0.111856D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.117963D+02  0.221786D+02 -0.446920D+01
      2   0.537947D+01 -0.132729D+02  0.372368D+01
      3   0.641685D+01 -0.890572D+01  0.745520D+00
      4   0.180693D+02 -0.244213D+01 -0.105320D+02
      5  -0.422028D+01 -0.828899D+01 -0.336331D+01
      6  -0.723019D+01  0.738302D+00  0.782924D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.225021D+01 -0.681874D+00 -0.953316D-01  0.264551D+01  0.112177D+01
      2  -0.681874D+00  0.197375D+01 -0.261111D+00  0.112177D+01  0.522485D+01
      3  -0.953316D-01 -0.261111D+00  0.363361D+00 -0.243610D+00 -0.311920D+00
                 6             7             8             9            10 
      1  -0.243610D+00 -0.193652D+01  0.363728D+00  0.294833D+00 -0.214694D+01
      2  -0.311920D+00  0.363728D+00 -0.846960D+00 -0.559603D-01 -0.208736D+01
      3   0.725669D-01  0.294833D+00 -0.559603D-01 -0.825634D+00  0.260725D+00
                11            12            13            14            15 
      1  -0.208736D+01  0.260725D+00 -0.575139D+01 -0.130801D+00 -0.340852D-01
      2  -0.860476D+00  0.858153D-01 -0.130801D+00 -0.116970D+02  0.639087D+00
      3   0.858153D-01 -0.457430D+00 -0.340852D-01  0.639087D+00 -0.206807D+01
                16            17            18            19            20 
      1   0.998702D+00  0.381507D-01 -0.285837D+00  0.896525D+01  0.209821D+00
      2   0.381507D-01  0.884509D+00 -0.260993D+01  0.209821D+00  0.744979D+00
      3  -0.285837D+00 -0.260993D+01  0.925935D+00  0.550908D+00  0.114009D+00
                21            22            23            24            25 
      1   0.550908D+00 -0.187416D+01  0.110616D+01 -0.175677D+00  0.185997D+01
      2   0.114009D+00  0.110616D+01 -0.321081D+01  0.656508D+00 -0.154584D+00
      3   0.125577D+01 -0.175677D+00  0.656508D+00 -0.119952D+00  0.224152D+01
                26            27            28            29            30 
      1  -0.154584D+00  0.224152D+01  0.557652D+01 -0.109290D+01 -0.796994D+00
      2   0.842655D+00  0.421347D+00 -0.109290D+01 -0.672323D+00  0.446535D+00
      3   0.421347D+00  0.957800D+00 -0.796994D+00  0.446535D+00  0.212680D+01
                31            32            33            34            35 
      1  -0.762749D+00 -0.187225D+01  0.916350D+00 -0.263960D+01  0.597982D+00
      2  -0.187225D+01 -0.122102D+01  0.280674D+00  0.597982D+00  0.210318D+00
      3   0.916350D+00  0.280674D+00  0.149814D+01  0.284366D+01  0.371793D+00
                36            37            38            39            40 
      1   0.284366D+01 -0.550621D+01  0.157122D+01  0.737508D+00 -0.321036D+00
      2   0.371793D+00  0.157122D+01  0.115199D+01  0.610374D+00  0.189261D+01
      3   0.454247D+01  0.737508D+00  0.610374D+00 -0.190891D+01  0.104644D+01
                41            42            43            44            45 
      1   0.189261D+01  0.104644D+01  0.272902D+01  0.264131D-01 -0.278677D+01
      2  -0.259929D+00 -0.115774D+00  0.264131D-01  0.275041D+00  0.117838D+01
      3  -0.115774D+00  0.159943D+01 -0.278677D+01  0.117838D+01 -0.436746D+01
                46            47            48            49            50 
      1   0.714061D+01 -0.244648D+01  0.811745D+00 -0.412878D+01 -0.101751D+01
      2  -0.244648D+01  0.109138D+01 -0.134112D+00 -0.101751D+01  0.293797D+00
      3   0.811745D+00 -0.134112D+00  0.727766D+00 -0.784314D+00 -0.163278D+00
                51            52            53            54            55 
      1  -0.784314D+00  0.165775D+01 -0.249623D+00  0.364175D+00 -0.147746D+02
      2  -0.163278D+00 -0.249623D+00  0.655423D+00 -0.769612D+00  0.195581D+01
      3  -0.108798D+01  0.364175D+00 -0.769612D+00  0.872544D+00 -0.123359D+01
                56            57            58            59            60 
      1   0.195581D+01 -0.123359D+01  0.257020D+01 -0.231228D+01  0.329301D+00
      2  -0.381450D+01  0.925851D-01 -0.231228D+01  0.233431D+01 -0.298102D+00
      3   0.925851D-01 -0.237683D+01  0.329301D+00 -0.298102D+00  0.100512D+01
                61            62            63            64            65 
      1  -0.215373D+01  0.238854D+00 -0.333665D+01  0.503435D+01  0.125885D+01
      2   0.238854D+00 -0.932091D+00  0.798888D+00  0.125885D+01  0.401987D+01
      3  -0.333665D+01  0.798888D+00 -0.168379D+01 -0.671349D+00 -0.486255D+00
                66            67            68            69            70 
      1  -0.671349D+00  0.162537D+00  0.282164D+01 -0.305597D+00 -0.626573D+00
      2  -0.486255D+00  0.282164D+01  0.279423D+01 -0.106079D+01 -0.173760D-01
      3   0.515260D+00 -0.305597D+00 -0.106079D+01 -0.797940D-01  0.748458D+00
                71            72            73            74            75 
      1  -0.173760D-01  0.748458D+00  0.248334D+01  0.123927D+01  0.626199D+00
      2  -0.110753D+01  0.122931D+01  0.123927D+01  0.177785D+01 -0.176443D+00
      3   0.122931D+01 -0.718623D+00  0.626199D+00 -0.176443D+00  0.832817D+00
                76            77            78            79            80 
      1   0.163479D+01 -0.865107D+00 -0.710394D+00  0.122024D+01 -0.400474D+00
      2  -0.865107D+00  0.614856D+01  0.125600D+01 -0.400474D+00  0.177341D+01
      3  -0.710394D+00  0.125600D+01  0.646603D+00 -0.283809D+00  0.152697D+01
                81            82            83            84            85 
      1  -0.283809D+00 -0.771493D+01 -0.136289D+01 -0.689556D+00  0.684451D+00
      2   0.152697D+01 -0.136289D+01 -0.150782D+01 -0.643092D-01 -0.574021D+00
      3   0.111344D+01 -0.689556D+00 -0.643092D-01 -0.193307D+00  0.362737D+00
                86            87            88            89            90 
      1  -0.574021D+00  0.362737D+00 -0.127507D+01  0.611902D-01  0.284416D-01
      2  -0.719937D+01 -0.287689D+00  0.611902D-01 -0.774759D+00 -0.189572D+01
      3  -0.287689D+00 -0.110001D+01  0.284416D-01 -0.189572D+01 -0.480744D+00
                91            92            93            94            95 
      1  -0.191059D+01 -0.236838D+00 -0.113031D+01 -0.416946D+00  0.168592D+00
      2  -0.236838D+00 -0.314509D+00 -0.112895D+00  0.168592D+00 -0.489748D+00
      3  -0.113031D+01 -0.112895D+00 -0.158897D+01 -0.309521D+00 -0.120143D+01
                96            97            98            99           100 
      1  -0.309521D+00 -0.150520D+01 -0.315872D+00 -0.106416D+01  0.198035D+01
      2  -0.120143D+01 -0.315872D+00 -0.176566D+01 -0.510354D+00 -0.493761D+00
      3  -0.972055D+00 -0.106416D+01 -0.510354D+00 -0.720588D+01  0.116133D+01
               101           102           103           104           105 
      1  -0.493761D+00  0.116133D+01 -0.610596D+00 -0.116735D+00 -0.296173D+00
      2   0.127304D+00 -0.182259D+00 -0.116735D+00 -0.536824D+00  0.120306D+01
      3  -0.182259D+00  0.154687D+01 -0.296173D+00  0.120306D+01 -0.104948D+01
               106           107           108           109           110 
      1   0.157167D+01 -0.222695D+00  0.132554D+01  0.848049D+01 -0.410621D+00
      2  -0.222695D+00  0.160591D+01 -0.736459D+00 -0.410621D+00  0.135250D+01
      3   0.132554D+01 -0.736459D+00  0.711516D+01  0.429177D+00  0.196091D+00
               111           112           113           114           115 
      1   0.429177D+00 -0.477325D+00  0.365673D+00 -0.165781D-01  0.118310D+01
      2   0.196091D+00  0.365673D+00 -0.183562D+01  0.498045D-01 -0.838200D-01
      3   0.342266D+00 -0.165781D-01  0.498045D-01 -0.527905D+00  0.224702D-01
               116           117           118           119           120 
      1  -0.838200D-01  0.224702D-01  0.156393D+01  0.120621D+01 -0.126104D+00
      2   0.290559D+00 -0.510404D+00  0.120621D+01  0.711023D+00  0.961206D-01
      3  -0.510404D+00  0.682478D-01 -0.126104D+00  0.961206D-01  0.578834D+00
               121           122           123           124           125 
      1   0.367008D+01  0.113978D+01  0.433343D+00 -0.386237D+00  0.875108D-01
      2   0.113978D+01  0.438000D+01 -0.318417D+00  0.875108D-01 -0.386662D+00
      3   0.433343D+00 -0.318417D+00  0.779407D+00  0.569893D+00  0.436947D+00
               126           127           128           129           130 
      1   0.569893D+00 -0.229082D+01  0.595170D+00  0.619033D+00  0.213831D+01
      2   0.436947D+00  0.595170D+00 -0.232890D+01  0.626779D-01 -0.703491D+00
      3   0.863629D-01  0.619033D+00  0.626779D-01 -0.513494D+00 -0.250346D+00
               131           132           133           134           135 
      1  -0.703491D+00 -0.250346D+00  0.745625D+00 -0.757069D-01 -0.100628D+00
      2   0.506555D+01  0.469436D-02 -0.757069D-01  0.555327D+00  0.764419D+00
      3   0.469436D-02  0.110248D+01 -0.100628D+00  0.764419D+00  0.916612D-02
               136           137           138           139           140 
      1  -0.463052D+01  0.776370D+00 -0.453395D+00  0.837092D+00 -0.102404D+01
      2   0.776370D+00 -0.345212D+01 -0.286825D+00 -0.102404D+01  0.209033D+00
      3  -0.453395D+00 -0.286825D+00 -0.125080D+01  0.381278D-01 -0.332428D+00
               141           142           143           144 
      1   0.381278D-01 -0.144314D+01  0.106322D+00 -0.581140D+00
      2  -0.332428D+00  0.106322D+00 -0.127948D+01  0.360387D+00
      3   0.301510D+00 -0.581140D+00  0.360387D+00 -0.409005D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.232857D+00 -0.184090D+01  0.126559D+01 -0.356887D+01  0.269394D+01
      2   0.334586D+01 -0.301689D+01 -0.449443D+01 -0.443644D+01  0.489485D+00
      3  -0.217900D+00 -0.374205D+01  0.216814D+01 -0.662806D+01 -0.619476D+01
                 6             7             8             9            10 
      1   0.773899D+01 -0.360811D+00  0.953259D+01 -0.282841D+01  0.244369D+00
      2   0.175822D+00 -0.132912D+02  0.230584D+01 -0.459355D+01 -0.258861D+00
      3   0.190005D+01  0.451158D+01  0.277660D+01 -0.147056D+01  0.611355D+01
                11            12            13            14            15 
      1   0.275957D+00 -0.475421D+00  0.787563D-01  0.195320D+00 -0.104913D+02
      2   0.689902D+00  0.315060D+01  0.860791D+00  0.920235D+00 -0.194344D+01
      3  -0.901324D+00 -0.106709D+01  0.176076D+02  0.177937D+02 -0.113936D+01
                16            17            18            19            20 
      1   0.133981D+01 -0.492701D+00  0.223247D+01  0.618819D+00  0.666642D+00
      2  -0.243651D+01 -0.526783D+01  0.213446D+01  0.844293D+00  0.575213D+00
      3  -0.286489D+01 -0.126514D+01  0.514244D+01 -0.257762D+01 -0.917941D+01
                21            22            23            24            25 
      1  -0.536942D+00  0.769628D+00 -0.159611D+01 -0.212853D+01  0.168334D+01
      2   0.881797D+01  0.827817D+00  0.189159D+01 -0.133769D+01  0.479687D+01
      3  -0.557446D+00 -0.392665D+00  0.134424D+02 -0.264397D+01 -0.105157D+01
                26            27            28            29            30 
      1   0.169997D+01  0.402275D+00  0.459607D+00  0.116476D+01  0.172887D+01
      2  -0.145275D+01  0.354955D+01 -0.286725D+01  0.910838D+00  0.350067D+01
      3  -0.408065D+01 -0.164807D+01  0.555092D+00 -0.349559D+01 -0.116833D+00
                31            32            33            34            35 
      1   0.322472D+01  0.273058D+00 -0.221902D+01 -0.176092D+01  0.256316D+01
      2   0.257814D+01 -0.495795D+00 -0.169874D+01 -0.293289D+01  0.731681D+00
      3   0.494810D+01  0.178734D+01 -0.102276D+01 -0.149252D+01 -0.365293D+00
                36            37            38            39            40 
      1  -0.155257D+01 -0.574193D+00  0.199450D+01 -0.147040D+01  0.110532D+01
      2   0.358603D+01 -0.160883D+01 -0.779738D+00  0.284864D+01 -0.229718D+01
      3  -0.732854D-01  0.907487D+00 -0.160638D+01 -0.121224D-01  0.634628D+01
                41            42            43            44            45 
      1  -0.219517D+00 -0.193347D+01  0.111324D+01  0.207040D+01  0.210639D+01
      2  -0.849659D+00  0.107787D+01 -0.343385D+01 -0.185067D+01  0.333024D+01
      3   0.642129D+00  0.556958D+00  0.228673D+01 -0.729974D+00  0.569290D+00
                46            47            48            49            50 
      1   0.459023D-01 -0.482971D+01 -0.161653D+01 -0.382957D+01 -0.268492D+01
      2   0.384027D+01  0.285061D+01 -0.836048D+01  0.403158D+01  0.175484D+01
      3  -0.543613D+01  0.742887D+01 -0.130621D+01  0.351421D+01 -0.434577D+01
                51            52            53            54            55 
      1   0.541890D+01  0.198575D+01  0.122813D+02  0.241180D+01 -0.106161D+01
      2   0.244061D+01 -0.132773D+02 -0.202943D+01 -0.549441D+01  0.467721D+00
      3   0.180635D+01 -0.227634D+01  0.542090D+01 -0.880079D+00  0.967433D+01
                56            57            58            59            60 
      1   0.225700D+01  0.675839D+00  0.108964D+01 -0.503942D+00 -0.350112D+01
      2  -0.694133D+00  0.137327D+02 -0.127376D+01 -0.120236D+00 -0.226084D+01
      3  -0.198298D+02  0.736054D+00 -0.268218D+01  0.101599D+02 -0.726484D+00
                61            62            63            64            65 
      1  -0.258989D+01  0.150682D+01 -0.970320D+00  0.180659D+01 -0.214694D+01
      2   0.481064D+01  0.560931D+00  0.518748D+01  0.160816D+01  0.880809D-01
      3   0.106005D+01 -0.432640D+01  0.349904D+01  0.126953D+02 -0.923360D+01
                66            67            68            69            70 
      1  -0.308937D+01 -0.263137D+01 -0.690945D+00 -0.342127D+01 -0.150854D+01
      2   0.369804D+01 -0.122380D+00 -0.226689D+00  0.195301D+01 -0.187248D+01
      3  -0.191227D+01 -0.301913D+01  0.140379D+01  0.199816D+01 -0.333422D+01
                71            72            73            74            75 
      1   0.304519D+01  0.883476D+00 -0.121537D+01 -0.743772D+00 -0.691866D+00
      2   0.120727D+01 -0.974578D+00 -0.185490D+01 -0.164565D+01  0.132248D+01
      3   0.168293D+01  0.241866D+00  0.119415D+02  0.651867D+01  0.265630D+01
                76            77            78            79            80 
      1  -0.959828D-01  0.282044D+01 -0.568644D+01 -0.242113D+00  0.139740D+01
      2  -0.463515D+00 -0.687458D+00 -0.214910D+01 -0.328166D+01 -0.293610D+00
      3   0.808113D+01  0.723802D+01  0.231178D+00  0.430147D+01  0.342799D+01
                81            82            83            84            85 
      1  -0.154732D+01 -0.138082D+01  0.113902D+01 -0.755996D+00  0.155242D+00
      2  -0.165274D+01  0.819932D-02 -0.150764D+00  0.356754D+01 -0.106794D+01
      3   0.187146D+01  0.220944D+02 -0.566580D+01  0.160112D+01  0.455896D+01
                86            87            88            89            90 
      1  -0.167535D+00 -0.740378D+01 -0.196079D+01 -0.226211D+01 -0.172125D+01
      2   0.204877D+00  0.328673D+00 -0.106873D+01  0.401608D+01  0.131485D+01
      3  -0.823558D+01 -0.833352D+00  0.442686D+01 -0.207438D+01 -0.315819D+01
                91            92            93            94            95 
      1   0.871747D+00  0.941139D+00  0.661459D+00  0.802218D+00  0.764983D+00
      2  -0.219159D+01 -0.494817D+00 -0.603285D+00 -0.126275D+01 -0.122064D+01
      3  -0.587590D+00 -0.275265D+00 -0.254751D+00  0.921862D+00  0.204462D+00
                96            97            98            99           100 
      1   0.654433D+00  0.582242D+00  0.331615D+01  0.218675D+01 -0.904680D+00
      2  -0.600260D+00 -0.351609D+01 -0.239262D+00 -0.426753D+01 -0.203433D+01
      3   0.758076D+00 -0.262848D+00  0.533280D+00 -0.289245D+00  0.190797D+00
               101           102           103           104           105 
      1   0.791973D+00 -0.784987D+00  0.680936D+00 -0.125509D+01  0.592487D+00
      2   0.454358D+00 -0.530349D+00  0.124342D+01 -0.853201D+00  0.617917D+00
      3  -0.743361D+00  0.261969D+00  0.827794D+00 -0.682451D+00  0.724941D+00
               106           107           108           109           110 
      1  -0.841033D+00  0.306318D+01 -0.262713D+01  0.124249D+01 -0.433051D+00
      2  -0.387254D+01  0.711509D+00 -0.410883D+01  0.253516D+00 -0.190301D+00
      3  -0.152412D+00  0.343856D+00 -0.205585D+00 -0.269103D+02  0.688168D+01
               111           112           113           114           115 
      1   0.107294D+01 -0.469354D+00  0.649206D-01 -0.590692D+00  0.496617D+00
      2  -0.276651D+01  0.288734D-01 -0.106131D+00  0.331223D+00 -0.278016D+01
      3  -0.121499D+01  0.410960D+01 -0.221581D+01  0.142398D+00 -0.365512D+01
               116           117           118           119           120 
      1   0.488909D+00  0.270886D+00  0.423300D+00 -0.419657D+00 -0.759378D+00
      2   0.340591D+00 -0.225496D+00 -0.190236D+00 -0.773082D-01  0.690057D+00
      3   0.112085D+01 -0.309846D+00 -0.408213D+01 -0.894804D+00 -0.498259D+00
               121           122           123           124           125 
      1  -0.212935D-01  0.203685D+01 -0.387601D+00  0.147910D+00  0.983318D+00
      2   0.639201D+00 -0.155148D+01  0.318520D+01  0.100861D+00  0.188677D+01
      3  -0.139753D+01 -0.191312D+02  0.194454D+01 -0.151251D-01  0.240291D+01
               126           127           128           129           130 
      1  -0.215236D+00 -0.309215D+01  0.148922D+01  0.189930D+01  0.130010D+01
      2  -0.411815D+00 -0.106488D+01  0.298544D+00 -0.672347D+00  0.555167D+00
      3  -0.119169D+01 -0.113557D+02  0.532470D+01  0.281683D+01  0.856479D+01
               131           132           133           134           135 
      1  -0.229546D+01 -0.279329D+01  0.507801D+00 -0.125591D+01 -0.660937D+00
      2  -0.309834D+00  0.697601D+00 -0.110648D+01  0.507689D+00  0.734605D+00
      3  -0.853354D+01 -0.110849D+01  0.358674D+01 -0.157308D+01 -0.122628D+01
               136           137           138           139           140 
      1   0.228314D+01 -0.306186D+00  0.287690D+01  0.232558D+00  0.812333D+00
      2   0.288019D+01  0.933736D+00  0.259693D+01  0.158974D+00  0.116009D+01
      3  -0.129946D+02 -0.896282D+01 -0.305244D+01 -0.277179D+01 -0.334292D+01
               141           142           143           144 
      1  -0.346577D+00  0.139687D+01  0.438682D+00  0.138112D+01
      2  -0.817864D+00  0.572555D+00 -0.112446D+01  0.715333D+00
      3  -0.141185D+01 -0.506839D+01 -0.329440D+01 -0.871258D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.199191D+02  0.197717D+01 -0.751666D+00 -0.488149D+00  0.234898D+02
      2   0.114706D+02 -0.477860D+01  0.225292D+01  0.591535D+00 -0.302547D+02
      3   0.844850D+01  0.280143D+01 -0.150125D+01 -0.103385D+00  0.676492D+01
      4  -0.579905D+01  0.502372D+00 -0.969135D+00 -0.464175D+01  0.904446D+01
      5  -0.235017D+01 -0.203744D+01 -0.755744D+01  0.441952D+00  0.554760D+00
      6   0.518207D+00 -0.142820D+00 -0.466927D+01  0.101712D+00  0.174270D+01
                 6             7             8             9            10 
      1  -0.277389D+01 -0.832038D+01 -0.544419D+01 -0.274946D+01 -0.237963D+01
      2   0.709555D-01  0.608909D+01  0.419918D+01 -0.627834D+01  0.613852D+01
      3   0.270293D+01  0.223129D+01  0.124502D+01  0.902780D+01 -0.375889D+01
      4  -0.912497D+00  0.639001D+00 -0.171296D+01 -0.865269D+00 -0.446189D+01
      5  -0.211031D+01  0.290921D+01  0.121971D+01 -0.492397D+01  0.302017D-02
      6  -0.889328D+01 -0.713268D+00  0.190333D+01  0.357986D+01 -0.111454D+01
                11            12            13            14            15 
      1  -0.878997D+01  0.748690D+00 -0.142278D+02 -0.354123D+02  0.118409D+01
      2   0.721736D+01 -0.771870D+00  0.826657D+01  0.529275D+02 -0.802322D+00
      3   0.157261D+01  0.231800D-01  0.596120D+01 -0.175152D+02 -0.381767D+00
      4   0.153776D+02 -0.791004D+00  0.150389D+02 -0.280834D+02  0.129673D+01
      5  -0.189668D+00  0.511626D+01 -0.165095D+01 -0.172076D+00 -0.427890D+01
      6  -0.416135D+00  0.134678D+01 -0.924956D+00 -0.265542D+01  0.156371D+02
                16            17            18            19            20 
      1   0.280810D+01  0.385042D+01 -0.969569D+01  0.642370D+02  0.124742D+01
      2  -0.234683D+01 -0.277114D+01  0.678718D+01 -0.383864D+02 -0.589809D+00
      3  -0.461263D+00 -0.107928D+01  0.290850D+01 -0.258506D+02 -0.657608D+00
      4  -0.120362D+01  0.160397D+01 -0.735033D+01  0.586555D+00  0.105153D+02
      5   0.377046D+01 -0.829095D+01  0.241294D+01  0.460255D+01  0.137867D+01
      6   0.535969D+00  0.138207D+02 -0.406805D+01  0.803082D+00  0.482514D+00
                21            22            23            24            25 
      1   0.267055D+01 -0.773442D+01  0.397603D+01 -0.565727D+00  0.733528D+01
      2  -0.256494D+01  0.374050D+01 -0.510621D+00  0.823246D+00 -0.662481D+01
      3  -0.105606D+00  0.399393D+01 -0.346541D+01 -0.257519D+00 -0.710467D+00
      4   0.103689D+01  0.116456D+02 -0.149556D+02  0.322895D+01  0.164453D+01
      5   0.170935D+02 -0.382007D+00  0.328810D+01 -0.515676D+00  0.189245D+02
      6   0.130071D+01  0.157983D+00  0.619470D-01  0.420542D+01 -0.122588D+01
                26            27            28            29            30 
      1   0.132112D+01  0.965318D+01 -0.123671D+00  0.549912D+01  0.137119D+01
      2  -0.107336D+00 -0.109799D+02  0.171599D+01 -0.565563D+01  0.377447D+01
      3  -0.121378D+01  0.132667D+01 -0.159232D+01  0.156514D+00 -0.514566D+01
      4   0.358376D+01 -0.378616D+00 -0.241913D+01 -0.292853D+01  0.357965D-03
      5   0.141393D+01  0.724314D+01 -0.119205D+01  0.182914D+01  0.486462D+00
      6   0.372239D+01 -0.213734D+00 -0.148350D+01  0.157316D+01 -0.313901D+01
                31            32            33            34            35 
      1   0.101467D+01 -0.876883D+00  0.377719D+01  0.226678D+01  0.250933D+01
      2   0.521007D+00 -0.222193D+01  0.294785D+01  0.316532D+01 -0.779679D+00
      3  -0.153568D+01  0.309882D+01 -0.672504D+01 -0.543210D+01 -0.172965D+01
      4  -0.857393D+01 -0.783141D+01  0.211242D+01 -0.165094D+01  0.266724D+01
      5   0.103240D+01  0.129385D+01 -0.330087D+01  0.160108D+01  0.156456D+01
      6   0.181049D+01  0.168771D+01 -0.429145D+01  0.297301D+01  0.921087D+00
                36            37            38            39            40 
      1   0.810141D+01  0.160271D+01 -0.648621D+01  0.216988D+01  0.369640D+00
      2   0.750479D+01 -0.139774D+01  0.464009D+01  0.204280D+01 -0.228324D+01
      3  -0.156062D+02 -0.204969D+00  0.184611D+01 -0.421268D+01  0.191360D+01
      4   0.458683D+01  0.340076D+00 -0.341066D+01 -0.330006D+00 -0.788323D+01
      5   0.740594D+00 -0.894057D-01 -0.140537D+01 -0.275197D+00 -0.797029D+00
      6  -0.117116D+01  0.129395D+01  0.697449D+00  0.392847D+01  0.309111D+01
                41            42            43            44            45 
      1  -0.361909D+00 -0.351544D+01  0.435882D+01 -0.296839D+01  0.855444D+01
      2  -0.305958D+01 -0.295732D+01  0.250480D+01 -0.941172D+00  0.611839D+01
      3   0.342149D+01  0.647275D+01 -0.686362D+01  0.390957D+01 -0.146728D+02
      4   0.267266D+01  0.244754D+01  0.237522D-01  0.164068D+01 -0.548313D+01
      5   0.363297D+00  0.328242D+01  0.105555D+01 -0.201899D+01  0.791731D+00
      6  -0.189549D+01 -0.432727D+01 -0.293542D+01  0.132450D+01  0.990729D+00
                46            47            48            49            50 
      1  -0.457620D+02  0.491352D+01 -0.260966D+01  0.185020D+02  0.136650D+02
      2   0.296979D+02 -0.295987D-01  0.498300D+01 -0.121102D+02 -0.175030D+02
      3   0.160641D+02 -0.488392D+01 -0.237334D+01 -0.639182D+01  0.383805D+01
      4   0.854561D+01 -0.112591D+02  0.471519D+00  0.245020D+01  0.300471D+01
      5  -0.575237D+01  0.160175D+01 -0.130119D+02  0.285039D+01  0.921482D+00
      6   0.286489D+00 -0.676727D+00  0.436448D+01  0.144285D+01 -0.355663D+00
                51            52            53            54            55 
      1   0.391471D+01 -0.104962D+02  0.515718D+01 -0.728921D+01  0.952652D+02
      2  -0.126229D+01  0.800811D+01 -0.269030D+01 -0.201377D+01 -0.571403D+02
      3  -0.265242D+01  0.248814D+01 -0.246688D+01  0.930298D+01 -0.381250D+02
      4   0.956090D+00  0.199110D+01 -0.357116D+01  0.261487D+01 -0.557027D+01
      5   0.620962D+01  0.735889D+00  0.124794D+01 -0.714825D+01  0.908496D+01
      6  -0.755703D+01 -0.844956D-01  0.244087D+01 -0.231156D+01 -0.103296D+01
                56            57            58            59            60 
      1  -0.107139D+02  0.528579D+01 -0.122866D+02  0.849615D+01 -0.167298D+01
      2   0.766305D+01 -0.529180D+01  0.879308D+01 -0.145882D+01  0.138229D+01
      3   0.305082D+01  0.600913D-02  0.349353D+01 -0.703733D+01  0.290689D+00
      4   0.242143D+02 -0.613184D+00  0.185740D+02 -0.826800D+01  0.229832D+01
      5  -0.156330D+01  0.240261D+02 -0.213285D+01  0.228410D+01 -0.528507D+01
      6   0.151097D+01 -0.141542D+01  0.116929D+01 -0.479074D-01  0.557784D+01
                61            62            63            64            65 
      1   0.963747D+01 -0.259307D+01  0.144379D+02  0.136758D+02 -0.915878D+01
      2  -0.898907D+01  0.176455D+01 -0.144068D+02 -0.618526D+01  0.166397D+02
      3  -0.648406D+00  0.828514D+00 -0.311610D-01 -0.749049D+01 -0.748090D+01
      4  -0.252257D+01  0.474526D+01 -0.187126D+01  0.163465D+02  0.143702D+02
      5   0.250260D+02 -0.350125D+01  0.115182D+02 -0.268483D+01 -0.139889D+01
      6   0.153074D+01  0.439955D+01  0.266327D+00 -0.322941D+01 -0.356901D+01
                66            67            68            69            70 
      1   0.460658D+00 -0.507906D+01 -0.273176D+01  0.143586D+01 -0.582222D+00
      2  -0.802479D+00  0.864048D+01  0.933121D+01 -0.329212D+01  0.153519D+01
      3   0.341821D+00 -0.356142D+01 -0.659944D+01  0.185626D+01 -0.952967D+00
      4  -0.292653D+01  0.139498D+02  0.189759D+02 -0.207583D+01 -0.168842D+01
      5   0.729439D+01 -0.102349D+01 -0.418492D+01  0.393367D+01  0.568648D+01
      6   0.502373D+01 -0.170238D+01 -0.517452D+01  0.963897D+01  0.360565D+01
                71            72            73            74            75 
      1   0.458125D+01 -0.423486D+01 -0.389222D+01 -0.250326D+01 -0.266246D+01
      2  -0.315819D+01 -0.850113D+00  0.350675D+01  0.172033D+01  0.208373D+00
      3  -0.142305D+01  0.508497D+01  0.385470D+00  0.782933D+00  0.245409D+01
      4  -0.253494D+01  0.468075D+01  0.333582D+01  0.267303D+00  0.196508D+01
      5   0.302546D+01 -0.315930D+01 -0.230133D+01  0.535872D-01  0.486586D+01
      6   0.773236D+01 -0.378130D+01  0.323084D+01 -0.970980D+00 -0.153561D+00
                76            77            78            79            80 
      1  -0.186460D+01 -0.181307D+02 -0.204585D+01 -0.203475D+01 -0.504679D+01
      2  -0.782224D+00  0.285705D+02  0.270277D+01  0.136049D+01  0.403106D+01
      3   0.264682D+01 -0.104399D+02 -0.656924D+00  0.674261D+00  0.101573D+01
      4   0.129445D+02 -0.185109D+02 -0.432575D+01  0.461194D+01 -0.563510D+01
      5   0.194932D+01 -0.373938D+01 -0.525913D+01  0.442154D+01 -0.319715D+01
      6  -0.329306D+01  0.739896D+01  0.120053D+02 -0.148369D+01  0.890402D+01
                81            82            83            84            85 
      1  -0.686302D+01  0.103463D+02  0.342422D+01  0.131851D+01 -0.222901D+01
      2   0.146128D+01 -0.290705D+01 -0.924320D+00 -0.128365D+01  0.265043D+01
      3   0.540174D+01 -0.743929D+01 -0.249990D+01 -0.348638D-01 -0.421421D+00
      4  -0.316787D+01  0.194073D+02  0.196333D+02  0.142430D+01  0.834746D+01
      5  -0.387812D+01  0.104261D+01  0.226862D+00  0.679422D+01 -0.684673D+00
      6   0.532011D+01  0.294421D+01 -0.255270D+00  0.223135D+00 -0.176861D+01
                86            87            88            89            90 
      1  -0.235420D+02 -0.177769D+01  0.151375D+01 -0.284088D+01 -0.748036D+01
      2   0.371504D+02  0.109494D+01 -0.148543D+01  0.192496D+01  0.433784D+01
      3  -0.136084D+02  0.682749D+00 -0.283147D-01  0.915923D+00  0.314252D+01
      4   0.191276D+02 -0.304381D+00  0.229019D+01  0.195782D+01  0.638981D+01
      5  -0.684933D+00  0.149337D+01  0.423552D+01  0.641869D+01  0.142370D+01
      6   0.100358D+01  0.131878D+02 -0.106832D+00  0.119716D+02  0.260256D+01
                91            92            93            94            95 
      1  -0.178758D+01 -0.907816D+00 -0.307697D+01 -0.148061D+01 -0.263267D+01
      2  -0.348996D+01 -0.245219D+00 -0.215765D+01 -0.527375D+00 -0.958181D+00
      3   0.527755D+01  0.115303D+01  0.523462D+01  0.200798D+01  0.359085D+01
      4  -0.997398D+00  0.115249D+01 -0.756150D+00  0.231309D+01 -0.425361D+00
      5   0.168138D+01  0.151859D+00  0.469194D+01  0.442565D+00 -0.247326D+00
      6   0.291122D+00  0.785032D+00 -0.167049D+00  0.745189D+00  0.120747D+01
                96            97            98            99           100 
      1  -0.200156D+01 -0.330649D+01 -0.368405D+00 -0.174082D+02 -0.243459D+01
      2  -0.274678D+01 -0.267409D+01 -0.247684D+01 -0.146907D+02 -0.279161D+01
      3   0.474834D+01  0.598058D+01  0.284524D+01  0.320989D+02  0.522621D+01
      4  -0.955969D+00 -0.386490D+00 -0.253325D+01 -0.108312D+01  0.137938D+01
      5  -0.108991D+00  0.438182D+01 -0.166376D+00 -0.219290D+01  0.158831D+01
      6   0.538932D+01 -0.203895D+00  0.452720D+01 -0.777524D+00 -0.242385D+00
               101           102           103           104           105 
      1   0.131662D+01 -0.327758D+01  0.187252D+01 -0.246551D+01  0.226382D+01
      2   0.129678D+00 -0.184308D+01  0.372026D+00 -0.124274D+01  0.266759D+01
      3  -0.144630D+01  0.512065D+01 -0.224454D+01  0.370825D+01 -0.493141D+01
      4   0.171370D+01  0.765442D+00  0.221968D+01  0.931794D+00 -0.117536D+01
      5  -0.283586D+00  0.477157D+01 -0.607460D+00 -0.110721D+00  0.292650D+00
      6   0.855829D+00  0.576133D-01  0.830892D+00 -0.151791D+01  0.527506D+01
               106           107           108           109           110 
      1  -0.488178D+01  0.987760D+00 -0.179897D+02 -0.113712D+02  0.378588D+01
      2  -0.234542D+01  0.288418D+01 -0.134817D+02  0.575431D+01 -0.474157D+01
      3   0.722720D+01 -0.387194D+01  0.314715D+02  0.561687D+01  0.955684D+00
      4   0.726983D+00 -0.226711D+01  0.183601D+01 -0.154734D+02 -0.118542D+02
      5   0.422228D+01  0.101421D+00 -0.197865D+01 -0.102467D+01  0.814563D-01
      6   0.593827D+00  0.450757D+01  0.804905D+00 -0.228842D+01 -0.668487D+00
               111           112           113           114           115 
      1   0.520167D-01  0.193502D+01 -0.577100D+01  0.843390D-01 -0.112396D+01
      2  -0.944655D-02 -0.184308D+01  0.806972D+01 -0.193460D+00  0.589645D+00
      3  -0.425701D-01 -0.919387D-01 -0.229872D+01  0.109121D+00  0.534314D+00
      4  -0.904295D+00  0.750546D+00  0.164809D+01  0.760150D-01 -0.203885D+01
      5  -0.497022D+01  0.940489D-01 -0.227448D+00  0.593004D+00  0.251672D+00
      6  -0.129274D+01  0.192243D-02 -0.151417D+00  0.176323D+01 -0.349225D+00
               116           117           118           119           120 
      1   0.560463D+00 -0.217514D+01  0.707037D+01  0.581819D+01 -0.447195D+00
      2  -0.811117D+00  0.784156D+00 -0.265302D+01 -0.220495D+01  0.695655D+00
      3   0.250653D+00  0.139099D+01 -0.441734D+01 -0.361325D+01 -0.248461D+00
      4  -0.141546D+01  0.196141D+00  0.697116D+01  0.538837D+01 -0.657482D-01
      5   0.597145D+00 -0.358515D+00 -0.809163D+00  0.586276D-01  0.195380D+01
      6   0.258773D+01 -0.349919D+00 -0.274063D+00  0.198920D+00  0.108392D+01
               121           122           123           124           125 
      1   0.191557D+02  0.407940D+01  0.148168D+01 -0.257191D+01 -0.188909D+00
      2  -0.104485D+02 -0.763804D+00 -0.163153D+01  0.157047D+01  0.215134D-01
      3  -0.870729D+01 -0.331560D+01  0.149858D+00  0.100144D+01  0.167395D+00
      4   0.798927D+01  0.221420D+02 -0.956212D+00  0.195032D+00 -0.160855D+01
      5   0.199292D+01 -0.127706D+01  0.490032D+01  0.355087D+01  0.277944D+01
      6   0.116554D+01  0.911317D+00  0.310201D+00  0.626109D+00  0.163713D+01
               126           127           128           129           130 
      1   0.115832D+01 -0.487744D+01  0.807375D+01 -0.956222D+00  0.594631D+01
      2  -0.114792D+01  0.446854D+01 -0.112407D+02 -0.455424D+00 -0.564742D+01
      3  -0.104025D-01  0.408899D+00  0.316694D+01  0.141165D+01 -0.298891D+00
      4   0.285097D+01 -0.562010D+01 -0.724324D+00  0.155041D+01  0.438397D+01
      5  -0.210868D+00  0.108071D+01 -0.659982D+00 -0.135058D+01 -0.106624D+01
      6   0.454330D+00  0.171949D+01  0.221800D+01 -0.188116D+01 -0.576465D+00
               131           132           133           134           135 
      1  -0.167234D+02  0.910130D-01  0.209911D+01 -0.187047D+01 -0.260110D+01
      2   0.252204D+02  0.858550D+00 -0.135241D+01  0.295724D+01  0.272009D+01
      3  -0.849700D+01 -0.949564D+00 -0.746705D+00 -0.108677D+01 -0.118993D+00
      4   0.374607D+01 -0.663061D+00  0.140250D+01  0.141012D+01 -0.470012D-01
      5   0.677365D+00  0.174725D+01  0.898863D+00  0.634808D+00  0.122007D+01
      6  -0.164856D+01  0.429831D+01 -0.612944D+00  0.419450D+01  0.200781D+00
               136           137           138           139           140 
      1   0.139186D+02  0.247394D+01  0.283973D+01 -0.339063D+01  0.377575D+01
      2  -0.458561D+01 -0.758477D+01 -0.344510D+00  0.362764D-01 -0.964300D+00
      3  -0.933296D+01  0.511083D+01 -0.249522D+01  0.335436D+01 -0.281145D+01
      4  -0.165937D+02  0.137911D+02 -0.354680D+00  0.566833D+01 -0.324115D+01
      5  -0.528095D+00  0.165955D+01  0.306852D+01 -0.458908D+00  0.126092D+01
      6  -0.142210D+01 -0.162244D+01 -0.461064D+01  0.999293D-01 -0.106352D+01
               141           142           143           144 
      1   0.451591D+00  0.173080D+01  0.268475D+01  0.124991D+01
      2  -0.324678D+00 -0.572684D+00 -0.371575D+01 -0.119610D+01
      3  -0.126913D+00 -0.115811D+01  0.103100D+01 -0.538127D-01
      4   0.130445D+01 -0.403414D+01  0.366967D+01 -0.290879D+01
      5  -0.159336D+01  0.350471D+01 -0.185095D+01  0.851647D+00
      6   0.777780D+00 -0.217221D+01  0.215457D+01 -0.204308D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.132091D+01      0.335741D+01      0.111991D+02
   x          0.793648D+00      0.201725D+01      0.672883D+01
   y          0.105583D+01      0.268365D+01      0.895170D+01
   z         -0.116624D-01     -0.296428D-01     -0.988779D-01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.669353D+02      0.991878D+01      0.110361D+02
   aniso      0.299382D+02      0.443638D+01      0.493614D+01
   xx         0.808764D+02      0.119846D+02      0.133347D+02
   yx         0.114689D-01      0.169951D-02      0.189096D-02
   yy         0.721132D+02      0.106861D+02      0.118899D+02
   zx         0.228734D+01      0.338950D+00      0.377132D+00
   zy        -0.423095D+00     -0.626962D-01     -0.697589D-01
   zz         0.478162D+02      0.708562D+01      0.788382D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.716409D+02      0.106161D+02      0.118120D+02
   aniso      0.292003D+02      0.432704D+01      0.481448D+01
   xx         0.851764D+02      0.126218D+02      0.140437D+02
   yx        -0.225465D-01     -0.334105D-02     -0.371742D-02
   yy         0.767491D+02      0.113730D+02      0.126542D+02
   zx         0.235145D+01      0.348450D+00      0.387702D+00
   zy        -0.496731D+00     -0.736080D-01     -0.819000D-01
   zz         0.529973D+02      0.785340D+01      0.873808D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.48815649         -1.85396287          0.89216674
     8          2.95920301         -2.55521649         -1.23745182
     8          3.34293092         -3.05261297          2.90597208
     6          0.83814839          0.44583491          1.41492448
     6         -1.73062208          0.20630954          0.00596100
     6         -1.60335814          1.25212253         -2.70290523
     8         -3.04286996          2.91322072         -3.31187013
     8          0.45760161          0.63298813          4.04597858
     8         -3.55445576          1.56904693          1.36877920
     8          0.09045969          0.27990378         -4.24778223
     1          1.85692557          2.11313757          0.72126523
     1         -2.28252787         -1.78795564         -0.07485028
     1          1.21976619         -0.93469712         -3.36241776
     1          2.63364914         -2.21202011          4.39122487
     1         -1.19586185          1.39344146          4.28667708
     1         -4.20885744          2.82763477          0.18821163

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.132091D+01      0.335741D+01      0.111991D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.132091D+01      0.335741D+01      0.111991D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.669353D+02      0.991878D+01      0.110361D+02
   aniso      0.299382D+02      0.443638D+01      0.493614D+01
   xx         0.648832D+02      0.961469D+01      0.106978D+02
   yx        -0.149333D+02     -0.221289D+01     -0.246217D+01
   yy         0.606550D+02      0.898815D+01      0.100007D+02
   zx         0.258395D+01      0.382902D+00      0.426036D+00
   zy        -0.354179D+01     -0.524839D+00     -0.583962D+00
   zz         0.752676D+02      0.111535D+02      0.124099D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.716409D+02      0.106161D+02      0.118120D+02
   aniso      0.292003D+02      0.432704D+01      0.481448D+01
   xx         0.695092D+02      0.103002D+02      0.114605D+02
   yx        -0.146103D+02     -0.216503D+01     -0.240892D+01
   yy         0.656637D+02      0.973035D+01      0.108265D+02
   zx         0.246269D+01      0.364933D+00      0.406042D+00
   zy        -0.341747D+01     -0.506417D+00     -0.563465D+00
   zz         0.797499D+02      0.118177D+02      0.131490D+02

 ----------------------------------------------------------------------
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 OLD HORSE! OLD HORSE! WHAT BROUGHT YOU HERE?
 FROM SACARAP' TO PORTLAND PIER
 I'VE CARTED STONE THIS MANY A YEAR;
 TILL, KILLED BY BLOWS AND SORE ABUSE,
 THEY SALTED ME DOWN FOR SAILORS' USE.
 THE SAILORS THEY DO ME DESPISE;
 THEY TURN ME OVER AND DAMN MY EYES;
 CUT OFF MY MEAT, AND SCRAPE MY BONES,
 AND PITCH ME OVER TO DAVY JONES.

    SAILORS' COMPLAINT ABOUT THE BEEF
    SERVED ON SHIPBOARD, CIRCA 1835.
 Job cpu time:       0 days  2 hours 58 minutes 53.2 seconds.
 Elapsed time:       0 days  0 hours 11 minutes 12.8 seconds.
 File lengths (MBytes):  RWF=    235 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 18:19:36 2021.
